N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane

C40H64N6O4S2Si — CID 159806211

IUPACN-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane
SMILESCC[SiH](CC)CC.CNS(=O)(=O)CCc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C17H25N3O2S.C17H23N3O2S.C6H16Si/c2*1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-4-7(5-2)6-3/h3-4,11-12,14,18-19H,5-10H2,1-2H3;3-5,11-12,18-19H,6-10H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyNKKSYOSTHXATJS-UHFFFAOYSA-N
MW785.21 g/mol
LogP6.32
Rot. Bonds13

About N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane

N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane (PubChem CID 159806211) has the molecular formula C40H64N6O4S2Si and a molecular weight of 785.21 g/mol. Its IUPAC name is N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane.

Molecular Properties

Compound NameN-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane
PubChem CID159806211
Molecular FormulaC40H64N6O4S2Si
Molecular Weight785.21 g/mol
Exact Mass784.42
IUPAC NameN-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane
SMILESCC[SiH](CC)CC.CNS(=O)(=O)CCc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C17H25N3O2S.C17H23N3O2S.C6H16Si/c2*1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-4-7(5-2)6-3/h3-4,11-12,14,18-19H,5-10H2,1-2H3;3-5,11-12,18-19H,6-10H2,1-2H3;7H,4-6H2,1-3H3
InChIKeyNKKSYOSTHXATJS-UHFFFAOYSA-N
XLogP6.32
TPSA130.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.21
LogP ≤ 56.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 4440
N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide
CID 45040003
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
CID 71179499
2-[3-(1,1-dimethylpiperidin-1-ium-4-yl)-1H-indol-5-yl]-N-methylethanesulfonamide
CID 85260849
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethyl]methanesulfonamide;hydrochloride
CID 19817120
N-methyl-2-[3-[(1-methylpyrrolidin-3-yl)methyl]-1H-indol-5-yl]ethanesulfonamide;hydrochloride
CID 139716609
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 118950186
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitro-1H-indole;1-methylpiperidin-4-one;3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;molecular hydrogen;5-nitro-1H-indole
CID 159304325
3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride
CID 159347443
5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;ethane
CID 143668199

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane?
The IUPAC name of N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane (CID 159806211) is N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane.
What is the SMILES notation for N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane?
The canonical SMILES for N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane is CC[SiH](CC)CC.CNS(=O)(=O)CCc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.
What is the InChIKey of N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane?
The InChIKey is NKKSYOSTHXATJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.C17H23N3O2S.C6H16Si/c2*1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-4-7(5-2)6-3/h3-4,11-12,14,18-19H,5-10H2,1-2H3;3-5,11-12,18-19H,6-10H2,1-2H3;7H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane?
N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane has a molecular weight of 785.21 g/mol, XLogP of 6.32, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]ethanesulfonamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;triethylsilane is sourced from PubChem (CID 159806211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).