N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide

C16H18N2O2S — CID 56654702

IUPACN-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc([C@H]3C[C@@H]3N)cc2)c1
InChIInChI=1S/C16H18N2O2S/c1-21(19,20)18-14-4-2-3-13(9-14)11-5-7-12(8-6-11)15-10-16(15)17/h2-9,15-16,18H,10,17H2,1H3/t15-,16+/m1/s1
InChIKeyMNNWMMBLAPUVIR-CVEARBPZSA-N
MW302.40 g/mol
LogP2.54
Rot. Bonds4

About N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide

N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide (PubChem CID 56654702) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide
PubChem CID56654702
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc([C@H]3C[C@@H]3N)cc2)c1
InChIInChI=1S/C16H18N2O2S/c1-21(19,20)18-14-4-2-3-13(9-14)11-5-7-12(8-6-11)15-10-16(15)17/h2-9,15-16,18H,10,17H2,1H3/t15-,16+/m1/s1
InChIKeyMNNWMMBLAPUVIR-CVEARBPZSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide (CID 56654702) is N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc([C@H]3C[C@@H]3N)cc2)c1.
What is the InChIKey of N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide?
The InChIKey is MNNWMMBLAPUVIR-CVEARBPZSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-21(19,20)18-14-4-2-3-13(9-14)11-5-7-12(8-6-11)15-10-16(15)17/h2-9,15-16,18H,10,17H2,1H3/t15-,16+/m1/s1.
What are the key properties of N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide?
N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(1R,2S)-2-aminocyclopropyl]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 56654702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).