1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide

C17H26N2O3S — CID 75398819

IUPAC1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC1CC(CNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1
InChIInChI=1S/C17H26N2O3S/c1-13-10-14(7-9-22-13)12-18-23(20,21)16-6-5-15-4-3-8-19(2)17(15)11-16/h5-6,11,13-14,18H,3-4,7-10,12H2,1-2H3
InChIKeyPWJVNFUUUKVSNQ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.16
Rot. Bonds4

About 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide

1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide (PubChem CID 75398819) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
PubChem CID75398819
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
SMILESCC1CC(CNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1
InChIInChI=1S/C17H26N2O3S/c1-13-10-14(7-9-22-13)12-18-23(20,21)16-6-5-15-4-3-8-19(2)17(15)11-16/h5-6,11,13-14,18H,3-4,7-10,12H2,1-2H3
InChIKeyPWJVNFUUUKVSNQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide with MolForge

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Related Compounds

N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 139012528
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
CID 126784254
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide
CID 75440507
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
N-[[(2R,4S)-2-methyloxan-4-yl]methyl]-1-(4-nitrophenyl)methanesulfonamide
CID 125136236
3-chloro-2-fluoro-N-[[(2R,4S)-2-methyloxan-4-yl]methyl]benzenesulfonamide
CID 125136254
1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 129336915
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The IUPAC name of 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide (CID 75398819) is 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide is CC1CC(CNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)CCO1.
What is the InChIKey of 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
The InChIKey is PWJVNFUUUKVSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-10-14(7-9-22-13)12-18-23(20,21)16-6-5-15-4-3-8-19(2)17(15)11-16/h5-6,11,13-14,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide?
1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide is sourced from PubChem (CID 75398819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).