N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide

C19H31N3O3S — CID 91958647

IUPACN-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide
SMILESCC(CCCN(C)C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C
InChIInChI=1S/C19H31N3O3S/c1-14(8-7-11-21(4)5)20-26(24,25)15-9-10-17-16(12-15)19(2,3)13-18(23)22(17)6/h9-10,12,14,20H,7-8,11,13H2,1-6H3
InChIKeyDNRPNXABBHQPRD-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.34
Rot. Bonds7

About N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide

N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide (PubChem CID 91958647) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide
PubChem CID91958647
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide
SMILESCC(CCCN(C)C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C
InChIInChI=1S/C19H31N3O3S/c1-14(8-7-11-21(4)5)20-26(24,25)15-9-10-17-16(12-15)19(2,3)13-18(23)22(17)6/h9-10,12,14,20H,7-8,11,13H2,1-6H3
InChIKeyDNRPNXABBHQPRD-UHFFFAOYSA-N
XLogP2.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide
CID 91957491
1,4,4-trimethyl-6-piperidin-1-ylsulfonyl-3H-quinolin-2-one
CID 91938381
N-(1,3-benzothiazol-2-yl)-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide
CID 91938372
1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 95637329
1,4,4-trimethyl-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-3H-quinoline-6-sulfonamide
CID 91958551
N-propan-2-yl-1-[(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 91954008
N-[(2R)-4-(dimethylamino)butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 95637328
(2S,3S)-3-methyl-2-[(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]pentanoic acid
CID 92863742
N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602577
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-4-fluorobenzenesulfonamide
CID 63289077
1,4,4-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-quinolin-2-one
CID 86679132

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide?
The IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide (CID 91958647) is N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide?
The canonical SMILES for N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide is CC(CCCN(C)C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C.
What is the InChIKey of N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide?
The InChIKey is DNRPNXABBHQPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-14(8-7-11-21(4)5)20-26(24,25)15-9-10-17-16(12-15)19(2,3)13-18(23)22(17)6/h9-10,12,14,20H,7-8,11,13H2,1-6H3.
What are the key properties of N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide?
N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide has a molecular weight of 381.54 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pentan-2-yl]-1,4,4-trimethyl-2-oxo-3H-quinoline-6-sulfonamide is sourced from PubChem (CID 91958647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).