1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride

C17H26ClN3O3S — CID 120584869

IUPAC1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NC(CN)C3CCCC3)cc21.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-12(21)20-9-8-14-6-7-15(10-17(14)20)24(22,23)19-16(11-18)13-4-2-3-5-13;/h6-7,10,13,16,19H,2-5,8-9,11,18H2,1H3;1H
InChIKeyUQCFFVUGVSIIET-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.81
Rot. Bonds5

About 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride

1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 120584869) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID120584869
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NC(CN)C3CCCC3)cc21.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-12(21)20-9-8-14-6-7-15(10-17(14)20)24(22,23)19-16(11-18)13-4-2-3-5-13;/h6-7,10,13,16,19H,2-5,8-9,11,18H2,1H3;1H
InChIKeyUQCFFVUGVSIIET-UHFFFAOYSA-N
XLogP1.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119983110
1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119983821
1-[6-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119969556
1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 124681524
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120582357
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
CID 119983696
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
1-[6-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 119975059

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 120584869) is 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride is CC(=O)N1CCc2ccc(S(=O)(=O)NC(CN)C3CCCC3)cc21.Cl.
What is the InChIKey of 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is UQCFFVUGVSIIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-12(21)20-9-8-14-6-7-15(10-17(14)20)24(22,23)19-16(11-18)13-4-2-3-5-13;/h6-7,10,13,16,19H,2-5,8-9,11,18H2,1H3;1H.
What are the key properties of 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-amino-1-cyclopentylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 120584869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).