(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine

C15H20N4O2S — CID 95182891

IUPAC(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine
SMILESCN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H20N4O2S/c1-17(2)13-8-12-6-4-5-7-15(12)19(10-13)22(20,21)14-9-16-18(3)11-14/h4-7,9,11,13H,8,10H2,1-3H3/t13-/m0/s1
InChIKeyRGLGOVWSYYBONU-ZDUSSCGKSA-N
MW320.42 g/mol
LogP1.10
Rot. Bonds3

About (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine

(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 95182891) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine
PubChem CID95182891
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine
SMILESCN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C15H20N4O2S/c1-17(2)13-8-12-6-4-5-7-15(12)19(10-13)22(20,21)14-9-16-18(3)11-14/h4-7,9,11,13H,8,10H2,1-3H3/t13-/m0/s1
InChIKeyRGLGOVWSYYBONU-ZDUSSCGKSA-N
XLogP1.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzonitrile
CID 95182889
(2S)-2-methyl-4-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 97054804
N,N-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-3-amine
CID 126841891
(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 56800905
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
CID 129382704
1,3-dimethyl-5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-benzodiazepine
CID 154780546
1-(1-tert-butylpyrazol-4-yl)sulfonyl-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 136574529
1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63215072
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane
CID 67561869
2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 51126282

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine (CID 95182891) is (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine is CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is RGLGOVWSYYBONU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-17(2)13-8-12-6-4-5-7-15(12)19(10-13)22(20,21)14-9-16-18(3)11-14/h4-7,9,11,13H,8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine?
(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 320.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 95182891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).