1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine

C21H32N4O2S — CID 59648213

IUPAC1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine
SMILESCCN(CC)c1nn(CC2CC2)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc12
InChIInChI=1S/C21H32N4O2S/c1-4-23(5-2)21-19-13-18(28(26,27)24-12-6-7-16(3)14-24)10-11-20(19)25(22-21)15-17-8-9-17/h10-11,13,16-17H,4-9,12,14-15H2,1-3H3
InChIKeySPVOSSKGXGRXQR-UHFFFAOYSA-N
MW404.58 g/mol
LogP3.71
Rot. Bonds7

About 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine

1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine (PubChem CID 59648213) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine
PubChem CID59648213
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine
SMILESCCN(CC)c1nn(CC2CC2)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc12
InChIInChI=1S/C21H32N4O2S/c1-4-23(5-2)21-19-13-18(28(26,27)24-12-6-7-16(3)14-24)10-11-20(19)25(22-21)15-17-8-9-17/h10-11,13,16-17H,4-9,12,14-15H2,1-3H3
InChIKeySPVOSSKGXGRXQR-UHFFFAOYSA-N
XLogP3.71
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-pentylindazol-3-amine
CID 143227968
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
2-tert-butyl-5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxan-4-ylmethyl)benzimidazole
CID 23661000
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
1-[(2,6-dichlorophenyl)methyl]-5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-N,N-diethylindazol-3-amine
CID 59648243
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
CID 3325668
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78777244
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
N,N-diethyl-2-[6-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714359
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
N-[2-[1-(3-ethoxypropyl)-5-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzimidazol-2-yl]sulfanylethyl]-N-propan-2-ylpropan-2-amine
CID 92768965

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine?
The IUPAC name of 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine (CID 59648213) is 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine is CCN(CC)c1nn(CC2CC2)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc12.
What is the InChIKey of 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine?
The InChIKey is SPVOSSKGXGRXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-4-23(5-2)21-19-13-18(28(26,27)24-12-6-7-16(3)14-24)10-11-20(19)25(22-21)15-17-8-9-17/h10-11,13,16-17H,4-9,12,14-15H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine?
1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine has a molecular weight of 404.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N,N-diethyl-5-(3-methylpiperidin-1-yl)sulfonylindazol-3-amine is sourced from PubChem (CID 59648213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).