2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide

C16H23NO2S — CID 101397493

IUPAC2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1CC[C@H]2[C@H](c3ccccc3)[C@H]21
InChIInChI=1S/C16H23NO2S/c1-16(2,3)20(18,19)17-13-10-9-12-14(15(12)13)11-7-5-4-6-8-11/h4-8,12-15,17H,9-10H2,1-3H3/t12-,13+,14-,15+/m0/s1
InChIKeyRBSCPWHRKZLWPG-LJISPDSOSA-N
MW293.43 g/mol
LogP2.90
Rot. Bonds3

About 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide

2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide (PubChem CID 101397493) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide
PubChem CID101397493
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1CC[C@H]2[C@H](c3ccccc3)[C@H]21
InChIInChI=1S/C16H23NO2S/c1-16(2,3)20(18,19)17-13-10-9-12-14(15(12)13)11-7-5-4-6-8-11/h4-8,12-15,17H,9-10H2,1-3H3/t12-,13+,14-,15+/m0/s1
InChIKeyRBSCPWHRKZLWPG-LJISPDSOSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide (CID 101397493) is 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@@H]1CC[C@H]2[C@H](c3ccccc3)[C@H]21.
What is the InChIKey of 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide?
The InChIKey is RBSCPWHRKZLWPG-LJISPDSOSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-16(2,3)20(18,19)17-13-10-9-12-14(15(12)13)11-7-5-4-6-8-11/h4-8,12-15,17H,9-10H2,1-3H3/t12-,13+,14-,15+/m0/s1.
What are the key properties of 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide?
2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S,2R,5S,6S)-6-phenyl-2-bicyclo[3.1.0]hexanyl]propane-2-sulfonamide is sourced from PubChem (CID 101397493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).