N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride

C13H21ClN2O3S — CID 119527676

IUPACN-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
SMILESCCCS(=O)(=O)CC(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-2-8-19(17,18)10-13(16)15-9-12(14)11-6-4-3-5-7-11;/h3-7,12H,2,8-10,14H2,1H3,(H,15,16);1H
InChIKeyNBVCLNDVLRNVJC-UHFFFAOYSA-N
MW320.84 g/mol
LogP1.05
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride

N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride (PubChem CID 119527676) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
PubChem CID119527676
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC NameN-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
SMILESCCCS(=O)(=O)CC(=O)NCC(N)c1ccccc1.Cl
InChIInChI=1S/C13H20N2O3S.ClH/c1-2-8-19(17,18)10-13(16)15-9-12(14)11-6-4-3-5-7-11;/h3-7,12H,2,8-10,14H2,1H3,(H,15,16);1H
InChIKeyNBVCLNDVLRNVJC-UHFFFAOYSA-N
XLogP1.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
CID 119525765
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119528189
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
N-(2-amino-2-phenylethyl)-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119528609
N-(2-amino-2-phenylethyl)-2,2-dimethylpropanamide;hydrochloride
CID 119529465
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride (CID 119527676) is N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride is CCCS(=O)(=O)CC(=O)NCC(N)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride?
The InChIKey is NBVCLNDVLRNVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S.ClH/c1-2-8-19(17,18)10-13(16)15-9-12(14)11-6-4-3-5-7-11;/h3-7,12H,2,8-10,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride?
N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride has a molecular weight of 320.84 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride is sourced from PubChem (CID 119527676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).