N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine

C17H25N3S — CID 134534889

IUPACN-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
SMILESCNSCCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C17H25N3S/c1-18-21-10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
InChIKeyNYVNEKGSXRVGQG-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.39
Rot. Bonds5

About N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine

N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine (PubChem CID 134534889) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine.

Molecular Properties

Compound NameN-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
PubChem CID134534889
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
SMILESCNSCCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
InChIInChI=1S/C17H25N3S/c1-18-21-10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3
InChIKeyNYVNEKGSXRVGQG-UHFFFAOYSA-N
XLogP3.39
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', '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-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethyl]methanesulfonamide;hydrochloride
CID 19817120
3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride
CID 159347443
1-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentan-3-one
CID 19971007
5-[2-(benzenesulfonyl)ethyl]-3-(1-methylpiperidin-4-yl)-1H-indole
CID 71179499
4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
CID 67754574
N-methyl-2-[3-[1-(trideuteriomethyl)piperidin-4-yl]-1H-indol-5-yl]ethanesulfonamide
CID 45040003
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
4-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrobromide
CID 70195086
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine?
The IUPAC name of N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine (CID 134534889) is N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine.
What is the SMILES notation for N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine?
The canonical SMILES for N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine is CNSCCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.
What is the InChIKey of N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine?
The InChIKey is NYVNEKGSXRVGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-18-21-10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3.
What are the key properties of N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine?
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine has a molecular weight of 303.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine is sourced from PubChem (CID 134534889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).