1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide

C20H31N3O3S — CID 110403443

IUPAC1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)CC(CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)N1CCCCC1
InChIInChI=1S/C20H31N3O3S/c1-15(2)11-17(23-9-5-4-6-10-23)14-21-27(25,26)18-7-8-19-16(12-18)13-20(24)22(19)3/h7-8,12,15,17,21H,4-6,9-11,13-14H2,1-3H3
InChIKeyJJYOUFFKBSBXKX-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.38
Rot. Bonds7

About 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide (PubChem CID 110403443) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
PubChem CID110403443
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)CC(CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)N1CCCCC1
InChIInChI=1S/C20H31N3O3S/c1-15(2)11-17(23-9-5-4-6-10-23)14-21-27(25,26)18-7-8-19-16(12-18)13-20(24)22(19)3/h7-8,12,15,17,21H,4-6,9-11,13-14H2,1-3H3
InChIKeyJJYOUFFKBSBXKX-UHFFFAOYSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246
1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
CID 110351456
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403541
N-(4-methyl-2-piperidin-1-ylpentyl)-3-nitrobenzenesulfonamide
CID 110403448
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403598
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 126815166
1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide
CID 110347532
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
4-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403691

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide (CID 110403443) is 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide is CC(C)CC(CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)N1CCCCC1.
What is the InChIKey of 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is JJYOUFFKBSBXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-15(2)11-17(23-9-5-4-6-10-23)14-21-27(25,26)18-7-8-19-16(12-18)13-20(24)22(19)3/h7-8,12,15,17,21H,4-6,9-11,13-14H2,1-3H3.
What are the key properties of 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 393.55 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 110403443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).