3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride

C15H23ClN2O3S — CID 119952491

IUPAC3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCS(=O)(=O)CC1(CNC(=O)CC(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-21(19,20)11-15(7-8-15)10-17-14(18)9-13(16)12-5-3-2-4-6-12;/h2-6,13H,7-11,16H2,1H3,(H,17,18);1H
InChIKeyPDDUJNQRDILXNS-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.44
Rot. Bonds7

About 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119952491) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119952491
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC Name3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
SMILESCS(=O)(=O)CC1(CNC(=O)CC(N)c2ccccc2)CC1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-21(19,20)11-15(7-8-15)10-17-14(18)9-13(16)12-5-3-2-4-6-12;/h2-6,13H,7-11,16H2,1H3,(H,17,18);1H
InChIKeyPDDUJNQRDILXNS-UHFFFAOYSA-N
XLogP1.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-phenyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide;hydrochloride
CID 119951995
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119952000
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119951552
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
CID 119952293
3-amino-N-(1-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119950222
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride (CID 119952491) is 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride is CS(=O)(=O)CC1(CNC(=O)CC(N)c2ccccc2)CC1.Cl.
What is the InChIKey of 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is PDDUJNQRDILXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S.ClH/c1-21(19,20)11-15(7-8-15)10-17-14(18)9-13(16)12-5-3-2-4-6-12;/h2-6,13H,7-11,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).