(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide

C16H22N2O5S2 — CID 9188070

IUPAC(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide
SMILESCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2
InChIInChI=1S/C16H22N2O5S2/c1-3-7-18(12-6-8-24(20,21)10-12)25(22,23)13-4-5-15-14(9-13)11(2)16(19)17-15/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyHGQZDXDHRFDUFV-NWDGAFQWSA-N
MW386.50 g/mol
LogP1.33
Rot. Bonds5

About (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide

(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide (PubChem CID 9188070) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide
PubChem CID9188070
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide
SMILESCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2
InChIInChI=1S/C16H22N2O5S2/c1-3-7-18(12-6-8-24(20,21)10-12)25(22,23)13-4-5-15-14(9-13)11(2)16(19)17-15/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyHGQZDXDHRFDUFV-NWDGAFQWSA-N
XLogP1.33
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

(3R)-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9185975
N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260448
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260447
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405
N-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)-3-methyl-N-propylbenzenesulfonamide
CID 55639384
N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8797616
N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 7275916
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
2,5-dibromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylbenzenesulfonamide
CID 26942262
N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115318993
(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
CID 9186128
N-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dimethyl-2,4-dioxo-N-propylpyrimidine-5-sulfonamide
CID 26528670

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide (CID 9188070) is (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide is CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)[C@H](C)C(=O)N2.
What is the InChIKey of (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide?
The InChIKey is HGQZDXDHRFDUFV-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c1-3-7-18(12-6-8-24(20,21)10-12)25(22,23)13-4-5-15-14(9-13)11(2)16(19)17-15/h4-5,9,11-12H,3,6-8,10H2,1-2H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide?
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide has a molecular weight of 386.50 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-2-oxo-N-propyl-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9188070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).