N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide

C17H19NO2S — CID 139115960

IUPACN-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-21(19,20)18-13-17(15-10-6-3-7-11-15)12-16(17)14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3/t16-,17-/m1/s1
InChIKeyROONSPXJFGTLDQ-IAGOWNOFSA-N
MW301.41 g/mol
LogP2.66
Rot. Bonds5

About N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide

N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide (PubChem CID 139115960) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide
PubChem CID139115960
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-21(19,20)18-13-17(15-10-6-3-7-11-15)12-16(17)14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3/t16-,17-/m1/s1
InChIKeyROONSPXJFGTLDQ-IAGOWNOFSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide?
The IUPAC name of N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide (CID 139115960) is N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide?
The InChIKey is ROONSPXJFGTLDQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-21(19,20)18-13-17(15-10-6-3-7-11-15)12-16(17)14-8-4-2-5-9-14/h2-11,16,18H,12-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide?
N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-1,2-diphenylcyclopropyl]methyl]methanesulfonamide is sourced from PubChem (CID 139115960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).