N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide

C16H25N3O2S — CID 129279666

IUPACN-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C16H25N3O2S/c1-22(20,21)18-7-8-19-11-13(12-19)10-17-16-9-15(16)14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3/t15-,16+/m0/s1
InChIKeyAFFZAGUTOYIYFB-JKSUJKDBSA-N
MW323.46 g/mol
LogP0.61
Rot. Bonds8

About N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide

N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide (PubChem CID 129279666) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide
PubChem CID129279666
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C16H25N3O2S/c1-22(20,21)18-7-8-19-11-13(12-19)10-17-16-9-15(16)14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3/t15-,16+/m0/s1
InChIKeyAFFZAGUTOYIYFB-JKSUJKDBSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide (CID 129279666) is N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1.
What is the InChIKey of N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is AFFZAGUTOYIYFB-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-22(20,21)18-7-8-19-11-13(12-19)10-17-16-9-15(16)14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide?
N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 323.46 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 129279666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).