1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide

C21H31N3O3S — CID 20853225

IUPAC1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1
InChIInChI=1S/C21H31N3O3S/c1-16-7-12-23(13-8-16)11-2-10-22-28(26,27)19-5-6-20-18(15-19)9-14-24(20)21(25)17-3-4-17/h5-6,15-17,22H,2-4,7-14H2,1H3
InChIKeyLFFKJWIBRMQVRX-UHFFFAOYSA-N
MW405.56 g/mol
LogP2.39
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 20853225) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID20853225
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1
InChIInChI=1S/C21H31N3O3S/c1-16-7-12-23(13-8-16)11-2-10-22-28(26,27)19-5-6-20-18(15-19)9-14-24(20)21(25)17-3-4-17/h5-6,15-17,22H,2-4,7-14H2,1H3
InChIKeyLFFKJWIBRMQVRX-UHFFFAOYSA-N
XLogP2.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutanecarbonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 15996298
1-(cyclobutanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853294
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46972315
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853285
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 46361256
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide (CID 20853225) is 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide is CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LFFKJWIBRMQVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3S/c1-16-7-12-23(13-8-16)11-2-10-22-28(26,27)19-5-6-20-18(15-19)9-14-24(20)21(25)17-3-4-17/h5-6,15-17,22H,2-4,7-14H2,1H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 405.56 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20853225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).