2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine

C16H25N3O2S — CID 126784254

IUPAC2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1ccc2c(c1)N(C)CCC2
InChIInChI=1S/C16H25N3O2S/c1-12-10-14(17)7-9-19(12)22(20,21)15-6-5-13-4-3-8-18(2)16(13)11-15/h5-6,11-12,14H,3-4,7-10,17H2,1-2H3
InChIKeyQSCYZNPVFPWJBE-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.57
Rot. Bonds2

About 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine

2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine (PubChem CID 126784254) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
PubChem CID126784254
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)c1ccc2c(c1)N(C)CCC2
InChIInChI=1S/C16H25N3O2S/c1-12-10-14(17)7-9-19(12)22(20,21)15-6-5-13-4-3-8-18(2)16(13)11-15/h5-6,11-12,14H,3-4,7-10,17H2,1-2H3
InChIKeyQSCYZNPVFPWJBE-UHFFFAOYSA-N
XLogP1.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine with MolForge

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Related Compounds

2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 115312519
(2R,4S)-1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 124573846
1-(3-fluorophenyl)sulfonyl-2-methylpiperidin-4-amine
CID 113284452
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
CID 115312529
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
CID 124591921
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 75398819
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine
CID 115312556
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine?
The IUPAC name of 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine (CID 126784254) is 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine?
The canonical SMILES for 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine is CC1CC(N)CCN1S(=O)(=O)c1ccc2c(c1)N(C)CCC2.
What is the InChIKey of 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine?
The InChIKey is QSCYZNPVFPWJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-12-10-14(17)7-9-19(12)22(20,21)15-6-5-13-4-3-8-18(2)16(13)11-15/h5-6,11-12,14H,3-4,7-10,17H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine?
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine has a molecular weight of 323.46 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine is sourced from PubChem (CID 126784254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).