1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol

C15H17NO3S2 — CID 146128917

IUPAC1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol
SMILESCc1cc(S(=O)(=O)N2CC(O)Cc3ccccc32)c(C)s1
InChIInChI=1S/C15H17NO3S2/c1-10-7-15(11(2)20-10)21(18,19)16-9-13(17)8-12-5-3-4-6-14(12)16/h3-7,13,17H,8-9H2,1-2H3
InChIKeyVFLRUXRYQNCISC-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.48
Rot. Bonds2

About 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol

1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol (PubChem CID 146128917) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol
PubChem CID146128917
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol
SMILESCc1cc(S(=O)(=O)N2CC(O)Cc3ccccc32)c(C)s1
InChIInChI=1S/C15H17NO3S2/c1-10-7-15(11(2)20-10)21(18,19)16-9-13(17)8-12-5-3-4-6-14(12)16/h3-7,13,17H,8-9H2,1-2H3
InChIKeyVFLRUXRYQNCISC-UHFFFAOYSA-N
XLogP2.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,4,5-tetrahydro-1,4-benzodiazepine;hydrochloride
CID 119975212
[4-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone
CID 47013223
(3S)-1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084328
(3R)-1-(2-hydroxy-5-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
CID 94815017
3-[(3-acetamido-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methylbenzoic acid
CID 154743631
2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]ethanone
CID 86955690
(3S,4R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767198
5-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210855
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,5-dimethylpiperazine
CID 63874056
4-[[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]sulfonyl]-5-methylthiophene-2-carboxylic acid
CID 136546168
4-methyl-5-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-thiazol-2-amine
CID 63947239
(3R)-1-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline-3-carboxamide
CID 52523014

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol (CID 146128917) is 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol is Cc1cc(S(=O)(=O)N2CC(O)Cc3ccccc32)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol?
The InChIKey is VFLRUXRYQNCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-10-7-15(11(2)20-10)21(18,19)16-9-13(17)8-12-5-3-4-6-14(12)16/h3-7,13,17H,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol?
1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol has a molecular weight of 323.44 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-ol is sourced from PubChem (CID 146128917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).