N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C15H22N2O2S — CID 62856404

IUPACN-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H22N2O2S/c1-17(11-12-4-2-5-12)20(18,19)14-7-8-15-13(10-14)6-3-9-16-15/h7-8,10,12,16H,2-6,9,11H2,1H3
InChIKeyWSMKGFATGBCFMN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.47
Rot. Bonds4

About N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 62856404) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID62856404
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H22N2O2S/c1-17(11-12-4-2-5-12)20(18,19)14-7-8-15-13(10-14)6-3-9-16-15/h7-8,10,12,16H,2-6,9,11H2,1H3
InChIKeyWSMKGFATGBCFMN-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 54884366
N-methyl-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63708062
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79701884
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 107200792
1-cyclobutyl-N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)methanamine
CID 62861548
N-cyclopentyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43267403
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106630837
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43614367
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 64518866
N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 22692420
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 62856404) is N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is CN(CC1CCC1)S(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is WSMKGFATGBCFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17(11-12-4-2-5-12)20(18,19)14-7-8-15-13(10-14)6-3-9-16-15/h7-8,10,12,16H,2-6,9,11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 62856404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).