(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane

C15H21NO2S — CID 11983814

IUPAC(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(C)C)C2)cc1
InChIInChI=1S/C15H21NO2S/c1-11(2)15-8-13(15)9-16(10-15)19(17,18)14-6-4-12(3)5-7-14/h4-7,11,13H,8-10H2,1-3H3/t13-,15+/m0/s1
InChIKeyXAGAQFRIBUHVIZ-DZGCQCFKSA-N
MW279.41 g/mol
LogP2.66
Rot. Bonds3

About (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane

(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 11983814) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID11983814
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(C)C)C2)cc1
InChIInChI=1S/C15H21NO2S/c1-11(2)15-8-13(15)9-16(10-15)19(17,18)14-6-4-12(3)5-7-14/h4-7,11,13H,8-10H2,1-3H3/t13-,15+/m0/s1
InChIKeyXAGAQFRIBUHVIZ-DZGCQCFKSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
2,6-bis-(4-methylphenyl)sulfonyl-2,6-diazaspiro[3.3]heptane
CID 44829122
1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.1]heptan-6-one
CID 21310580
5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 135054158
8,11-dimethyl-3-(4-methylphenyl)sulfonyl-3-azatricyclo[5.2.2.01,5]undec-10-en-9-one
CID 135013196
4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane
CID 15398609
4-bromo-6-(4-methylphenyl)sulfonyl-1-oxa-6-azaspiro[2.4]heptane
CID 123942341
(1R,5S)-5-methyl-3-(4-methylphenyl)sulfonyl-6-oxa-3,7-diazabicyclo[3.2.1]octane
CID 11492900
(1R,5S)-1-(3H-inden-1-yl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane
CID 134956224
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
2-[1-(4-methylphenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681735
(4S,5R)-5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 98106436

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 11983814) is (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane is Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@]3(C(C)C)C2)cc1.
What is the InChIKey of (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is XAGAQFRIBUHVIZ-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11(2)15-8-13(15)9-16(10-15)19(17,18)14-6-4-12(3)5-7-14/h4-7,11,13H,8-10H2,1-3H3/t13-,15+/m0/s1.
What are the key properties of (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane?
(1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 279.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(4-methylphenyl)sulfonyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 11983814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).