(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide

C20H29N3O3S — CID 92712242

IUPAC(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1
InChIInChI=1S/C20H29N3O3S/c1-15(2)8-10-21-20(24)17-5-4-11-23(14-17)27(25,26)18-6-7-19-16(13-18)9-12-22(19)3/h6-7,9,12-13,15,17H,4-5,8,10-11,14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyJUVKYGNITICTKT-KRWDZBQOSA-N
MW391.54 g/mol
LogP2.74
Rot. Bonds6

About (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide

(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 92712242) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
PubChem CID92712242
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1
InChIInChI=1S/C20H29N3O3S/c1-15(2)8-10-21-20(24)17-5-4-11-23(14-17)27(25,26)18-6-7-19-16(13-18)9-12-22(19)3/h6-7,9,12-13,15,17H,4-5,8,10-11,14H2,1-3H3,(H,21,24)/t17-/m0/s1
InChIKeyJUVKYGNITICTKT-KRWDZBQOSA-N
XLogP2.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92765113
(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712238
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 92751290
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 92751316
(3S)-N-(3-ethoxypropyl)-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92726167
(3S)-1-(1-ethylindol-5-yl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 92751303
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 3671861
(3R)-1-(1-ethylindol-5-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92751286
1-(1-ethylindol-5-yl)sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 46349864
1-(4-methoxyphenyl)sulfonyl-N-(4-methylpentyl)piperidine-3-carboxamide
CID 134023366
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide (CID 92712242) is (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide is CC(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(ccn3C)c2)C1.
What is the InChIKey of (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is JUVKYGNITICTKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-15(2)8-10-21-20(24)17-5-4-11-23(14-17)27(25,26)18-6-7-19-16(13-18)9-12-22(19)3/h6-7,9,12-13,15,17H,4-5,8,10-11,14H2,1-3H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide?
(3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methylbutyl)-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92712242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).