(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

C25H30N2O3S — CID 167493963

IUPAC(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C25H30N2O3S/c1-19-10-11-23-22(16-19)25(12-3-2-4-13-25)18-27(23)24(28)20-8-7-9-21(17-20)31(29,30)26-14-5-6-15-26/h7-11,16-17H,2-6,12-15,18H2,1H3
InChIKeyOEJGTEYWEGKEGG-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.64
Rot. Bonds3

About (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 167493963) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID167493963
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C25H30N2O3S/c1-19-10-11-23-22(16-19)25(12-3-2-4-13-25)18-27(23)24(28)20-8-7-9-21(17-20)31(29,30)26-14-5-6-15-26/h7-11,16-17H,2-6,12-15,18H2,1H3
InChIKeyOEJGTEYWEGKEGG-UHFFFAOYSA-N
XLogP4.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 167493928
CID 167493928
CID 167493672
CID 167493672
CID 167493484
CID 167493484
CID 167494089
CID 167494089
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 166192011
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 167493926
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940
N-(2,2-dimethyloxetan-3-yl)-3-[5-(methanesulfonamido)spiro[2H-indole-3,1'-cyclohexane]-1-carbonyl]benzenesulfonamide
CID 167493723

Frequently Asked Questions

What is the IUPAC name of (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 167493963) is (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is Cc1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is OEJGTEYWEGKEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-19-10-11-23-22(16-19)25(12-3-2-4-13-25)18-27(23)24(28)20-8-7-9-21(17-20)31(29,30)26-14-5-6-15-26/h7-11,16-17H,2-6,12-15,18H2,1H3.
What are the key properties of (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone?
(5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 438.59 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylspiro[2H-indole-3,1'-cyclohexane]-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 167493963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).