N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide

C10H19NO2S — CID 11564774

IUPACN-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H]2C[C@@H]21
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14(12,13)11-9-5-4-7-6-8(7)9/h7-9,11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyZLZNLGHDDQCIOT-VGMNWLOBSA-N
MW217.33 g/mol
LogP1.50
Rot. Bonds2

About N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide

N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide (PubChem CID 11564774) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide
PubChem CID11564774
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H]2C[C@@H]21
InChIInChI=1S/C10H19NO2S/c1-10(2,3)14(12,13)11-9-5-4-7-6-8(7)9/h7-9,11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyZLZNLGHDDQCIOT-VGMNWLOBSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide (CID 11564774) is N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H]2C[C@@H]21.
What is the InChIKey of N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide?
The InChIKey is ZLZNLGHDDQCIOT-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-10(2,3)14(12,13)11-9-5-4-7-6-8(7)9/h7-9,11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1.
What are the key properties of N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide?
N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide has a molecular weight of 217.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,5R)-2-bicyclo[3.1.0]hexanyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 11564774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).