1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide

C16H23N3O3S — CID 31539906

IUPAC1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1CCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1
InChIInChI=1S/C16H23N3O3S/c1-12-3-2-7-18(10-12)11-16(20)19-8-6-13-9-14(23(17,21)22)4-5-15(13)19/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,17,21,22)/t12-/m1/s1
InChIKeyVELPQSSFJZIMBT-GFCCVEGCSA-N
MW337.45 g/mol
LogP0.95
Rot. Bonds3

About 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 31539906) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID31539906
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1CCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1
InChIInChI=1S/C16H23N3O3S/c1-12-3-2-7-18(10-12)11-16(20)19-8-6-13-9-14(23(17,21)22)4-5-15(13)19/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,17,21,22)/t12-/m1/s1
InChIKeyVELPQSSFJZIMBT-GFCCVEGCSA-N
XLogP0.95
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35171895
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55478576
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-[2-[(1-benzylpiperidin-3-yl)-propylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 60617010
N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 16576239
methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate
CID 95786442

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 31539906) is 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide is C[C@@H]1CCCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1.
What is the InChIKey of 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VELPQSSFJZIMBT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12-3-2-7-18(10-12)11-16(20)19-8-6-13-9-14(23(17,21)22)4-5-15(13)19/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H2,17,21,22)/t12-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 31539906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).