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

C17H27N3O2S — CID 129279756

IUPACN-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide
SMILESCN(CCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)S(C)(=O)=O
InChIInChI=1S/C17H27N3O2S/c1-19(23(2,21)22)8-9-20-12-14(13-20)11-18-17-10-16(17)15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyISQINPHVGYDRGD-DLBZAZTESA-N
MW337.49 g/mol
LogP0.96
Rot. Bonds8

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

N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide (PubChem CID 129279756) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide
PubChem CID129279756
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide
SMILESCN(CCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)S(C)(=O)=O
InChIInChI=1S/C17H27N3O2S/c1-19(23(2,21)22)8-9-20-12-14(13-20)11-18-17-10-16(17)15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyISQINPHVGYDRGD-DLBZAZTESA-N
XLogP0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-methylsulfonyl-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
CID 156013681
US9994546, Example 101
CID 118297947
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
US10300051, Example 4
CID 118290234
US9994546, Example 9
CID 118292328
US9994546, Example 28
CID 118292402
US9994546, Example 31
CID 118292442
US9994546, Example 20
CID 118292449
US9994546, Example 15
CID 118292486
US9994546, Example 65
CID 118297847
US9994546, Example 64
CID 118297848
US10676457, Example 93
CID 118297863

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide (CID 129279756) is N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide is CN(CCN1CC(CN[C@@H]2C[C@H]2c2ccccc2)C1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is ISQINPHVGYDRGD-DLBZAZTESA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-19(23(2,21)22)8-9-20-12-14(13-20)11-18-17-10-16(17)15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 337.49 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]azetidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 129279756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).