N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide

C17H25NO3S — CID 156513274

IUPACN-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1[C@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C17H25NO3S/c1-21-17-9-8-13(18-22(2,19)20)10-16(17)15-11-14(15)12-6-4-3-5-7-12/h8-10,12,14-15,18H,3-7,11H2,1-2H3/t14-,15+/m1/s1
InChIKeyXLBMBEZILVMUPX-CABCVRRESA-N
MW323.46 g/mol
LogP3.75
Rot. Bonds5

About N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide

N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide (PubChem CID 156513274) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide
PubChem CID156513274
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)cc1[C@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C17H25NO3S/c1-21-17-9-8-13(18-22(2,19)20)10-16(17)15-11-14(15)12-6-4-3-5-7-12/h8-10,12,14-15,18H,3-7,11H2,1-2H3/t14-,15+/m1/s1
InChIKeyXLBMBEZILVMUPX-CABCVRRESA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide (CID 156513274) is N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide is COc1ccc(NS(C)(=O)=O)cc1[C@H]1C[C@@H]1C1CCCCC1.
What is the InChIKey of N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide?
The InChIKey is XLBMBEZILVMUPX-CABCVRRESA-N. The full InChI is InChI=1S/C17H25NO3S/c1-21-17-9-8-13(18-22(2,19)20)10-16(17)15-11-14(15)12-6-4-3-5-7-12/h8-10,12,14-15,18H,3-7,11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide?
N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,2R)-2-cyclohexylcyclopropyl]-4-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 156513274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).