N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine

C16H20N2O2S2 — CID 110709421

IUPACN,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N(C)C)c3ccccc32)s1
InChIInChI=1S/C16H20N2O2S2/c1-12-8-9-16(21-12)22(19,20)18-11-10-14(17(2)3)13-6-4-5-7-15(13)18/h4-9,14H,10-11H2,1-3H3
InChIKeyVHCNHSOGLWMPNU-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.26
Rot. Bonds3

About N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine

N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 110709421) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID110709421
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N(C)C)c3ccccc32)s1
InChIInChI=1S/C16H20N2O2S2/c1-12-8-9-16(21-12)22(19,20)18-11-10-14(17(2)3)13-6-4-5-7-15(13)18/h4-9,14H,10-11H2,1-3H3
InChIKeyVHCNHSOGLWMPNU-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637195
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 146096119
3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one
CID 110657098
1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113076523
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 62067377
5-[[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-3-carboxylic acid
CID 95594259
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine (CID 110709421) is N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(N(C)C)c3ccccc32)s1.
What is the InChIKey of N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is VHCNHSOGLWMPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-8-9-16(21-12)22(19,20)18-11-10-14(17(2)3)13-6-4-5-7-15(13)18/h4-9,14H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine?
N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 336.48 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 110709421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).