N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride

C16H24ClN3O3S — CID 120635833

IUPACN-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCN[C@@H](C)C1)CC2.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-11-9-13(5-7-18-11)16(20)19-8-6-12-3-4-14(10-15(12)19)23(21,22)17-2;/h3-4,10-11,13,17-18H,5-9H2,1-2H3;1H/t11-,13-;/m0./s1
InChIKeyKCEZYYCCJZJIJW-JZKFLRDJSA-N
MW373.91 g/mol
LogP1.29
Rot. Bonds3

About N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride

N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 120635833) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID120635833
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC NameN-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCN[C@@H](C)C1)CC2.Cl
InChIInChI=1S/C16H23N3O3S.ClH/c1-11-9-13(5-7-18-11)16(20)19-8-6-12-3-4-14(10-15(12)19)23(21,22)17-2;/h3-4,10-11,13,17-18H,5-9H2,1-2H3;1H/t11-,13-;/m0./s1
InChIKeyKCEZYYCCJZJIJW-JZKFLRDJSA-N
XLogP1.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 167752448
(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629796
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803
(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120629797
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 120635833) is N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride is CNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCN[C@@H](C)C1)CC2.Cl.
What is the InChIKey of N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is KCEZYYCCJZJIJW-JZKFLRDJSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c1-11-9-13(5-7-18-11)16(20)19-8-6-12-3-4-14(10-15(12)19)23(21,22)17-2;/h3-4,10-11,13,17-18H,5-9H2,1-2H3;1H/t11-,13-;/m0./s1.
What are the key properties of N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride?
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 120635833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).