(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline

C20H19NO2S2 — CID 146096119

IUPAC(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)s1
InChIInChI=1S/C20H19NO2S2/c1-15-11-12-19(24-15)25(22,23)21-14-13-16-7-5-6-10-18(16)20(21)17-8-3-2-4-9-17/h2-12,20H,13-14H2,1H3/t20-/m0/s1
InChIKeySBGHSAZJJSDCIL-FQEVSTJZSA-N
MW369.51 g/mol
LogP4.39
Rot. Bonds3

About (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline

(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 146096119) has the molecular formula C20H19NO2S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID146096119
Molecular FormulaC20H19NO2S2
Molecular Weight369.51 g/mol
Exact Mass369.09
IUPAC Name(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)s1
InChIInChI=1S/C20H19NO2S2/c1-15-11-12-19(24-15)25(22,23)21-14-13-16-7-5-6-10-18(16)20(21)17-8-3-2-4-9-17/h2-12,20H,13-14H2,1H3/t20-/m0/s1
InChIKeySBGHSAZJJSDCIL-FQEVSTJZSA-N
XLogP4.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(5-chlorothiophen-2-yl)sulfonyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 2529792
(1R)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 138972942
1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 5263889
3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazin-2-one
CID 110657098
2-[2-(5-bromothiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 5263809
1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628144
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
2-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
CID 110400673
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
(3S)-2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55935678
2-ethylsulfonyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinoline
CID 110661445
2-(1,3-benzodioxol-5-ylsulfonyl)-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
CID 110400677

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline (CID 146096119) is (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline is Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)s1.
What is the InChIKey of (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is SBGHSAZJJSDCIL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19NO2S2/c1-15-11-12-19(24-15)25(22,23)21-14-13-16-7-5-6-10-18(16)20(21)17-8-3-2-4-9-17/h2-12,20H,13-14H2,1H3/t20-/m0/s1.
What are the key properties of (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline?
(1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 369.51 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(5-methylthiophen-2-yl)sulfonyl-1-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 146096119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).