(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide

C17H23N3O3S — CID 97216029

IUPAC(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide
SMILESCNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3c(C)cccc23)C1
InChIInChI=1S/C17H23N3O3S/c1-12-5-3-7-15-13(10-19-17(12)15)9-16(21)20-8-4-6-14(11-20)24(22,23)18-2/h3,5,7,10,14,18-19H,4,6,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeySJVPSCPVUMSMEZ-CQSZACIVSA-N
MW349.46 g/mol
LogP1.56
Rot. Bonds4

About (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide

(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide (PubChem CID 97216029) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide
PubChem CID97216029
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide
SMILESCNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3c(C)cccc23)C1
InChIInChI=1S/C17H23N3O3S/c1-12-5-3-7-15-13(10-19-17(12)15)9-16(21)20-8-4-6-14(11-20)24(22,23)18-2/h3,5,7,10,14,18-19H,4,6,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeySJVPSCPVUMSMEZ-CQSZACIVSA-N
XLogP1.56
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
CID 99698712
1-[3-(7-methyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid
CID 119167939
1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003471
2-(7-methyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854852
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
CID 128984768
3-(7-methyl-1H-indol-3-yl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95776604
1-(3-methyl-1,1-dioxo-1,4-thiazepan-4-yl)-2-(7-methyl-1H-indol-3-yl)ethanone
CID 154788876
2-(7-methyl-1H-indol-3-yl)-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327716
methyl 1-[1-[2-(7-ethyl-1H-indol-3-yl)acetyl]piperidin-3-yl]triazole-4-carboxylate
CID 166214417
1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110856311
N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 111471037
2-[cyclopropyl-[2-(7-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 119194873

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide?
The IUPAC name of (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide (CID 97216029) is (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide?
The canonical SMILES for (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide is CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3c(C)cccc23)C1.
What is the InChIKey of (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide?
The InChIKey is SJVPSCPVUMSMEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-5-3-7-15-13(10-19-17(12)15)9-16(21)20-8-4-6-14(11-20)24(22,23)18-2/h3,5,7,10,14,18-19H,4,6,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide?
(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97216029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).