1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

C15H19N3O3S — CID 71862043

IUPAC1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H19N3O3S/c1-16-22(20,21)10-13-3-2-8-18(13)15(19)12-5-4-11-6-7-17-14(11)9-12/h4-7,9,13,16-17H,2-3,8,10H2,1H3
InChIKeyIEFPFUSOIDNDHS-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.32
Rot. Bonds4

About 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide

1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (PubChem CID 71862043) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
PubChem CID71862043
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C15H19N3O3S/c1-16-22(20,21)10-13-3-2-8-18(13)15(19)12-5-4-11-6-7-17-14(11)9-12/h4-7,9,13,16-17H,2-3,8,10H2,1H3
InChIKeyIEFPFUSOIDNDHS-UHFFFAOYSA-N
XLogP1.32
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
1-[(2S)-1-(3-fluoro-4-pyrrol-1-ylbenzoyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 95973551
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
(2-cyclopentylpyrrolidin-1-yl)-(1H-indol-6-yl)methanone
CID 61073765
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
1H-indol-6-yl-(3-methylsulfonylpiperidin-1-yl)methanone
CID 167956999
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 67089912
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide (CID 71862043) is 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)CC1CCCN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
The InChIKey is IEFPFUSOIDNDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-16-22(20,21)10-13-3-2-8-18(13)15(19)12-5-4-11-6-7-17-14(11)9-12/h4-7,9,13,16-17H,2-3,8,10H2,1H3.
What are the key properties of 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide?
1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-indole-6-carbonyl)pyrrolidin-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71862043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).