N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide

C15H22N2OS — CID 119613585

IUPACN-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
SMILESCC(SCc1ccccc1)C(=O)NC(CN)C1CC1
InChIInChI=1S/C15H22N2OS/c1-11(19-10-12-5-3-2-4-6-12)15(18)17-14(9-16)13-7-8-13/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18)
InChIKeyFOMOSYPDPAQQAR-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.16
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide

N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide (PubChem CID 119613585) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
PubChem CID119613585
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
SMILESCC(SCc1ccccc1)C(=O)NC(CN)C1CC1
InChIInChI=1S/C15H22N2OS/c1-11(19-10-12-5-3-2-4-6-12)15(18)17-14(9-16)13-7-8-13/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18)
InChIKeyFOMOSYPDPAQQAR-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
3-(2-benzylsulfanylpropanoylamino)butanoic acid
CID 119221152
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CID 119616015
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
CID 119995886
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
(2S)-2-benzylsulfanyl-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 94020092
2-(4-acetamidophenyl)sulfanyl-N-(2-amino-1-cyclopropylethyl)propanamide
CID 119615568
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
CID 65189008
N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
CID 119617229
(2S)-2-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 38003625
1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea
CID 166237644

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide (CID 119613585) is N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide is CC(SCc1ccccc1)C(=O)NC(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide?
The InChIKey is FOMOSYPDPAQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(19-10-12-5-3-2-4-6-12)15(18)17-14(9-16)13-7-8-13/h2-6,11,13-14H,7-10,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide?
N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide is sourced from PubChem (CID 119613585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).