N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide

C14H22N2OS — CID 119995886

IUPACN-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
SMILESCC(CN)CNC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(8-15)9-16-14(17)12(2)18-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyLVJFLAPBIHTIMM-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.02
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide

N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide (PubChem CID 119995886) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
PubChem CID119995886
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide
SMILESCC(CN)CNC(=O)C(C)SCc1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(8-15)9-16-14(17)12(2)18-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyLVJFLAPBIHTIMM-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3-(2-benzylsulfanylpropanoylamino)propanoic acid
CID 119233768
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
CID 119640354
propan-2-yl 2-(2-benzylsulfanylpropanoylamino)acetate
CID 71879043
N-(2-amino-1-cyclopropylethyl)-2-benzylsulfanylpropanamide
CID 119613585
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
(2R)-2-benzylsulfanyl-N-[2-[(S)-phenylsulfinyl]ethyl]propanamide
CID 95618501
N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
CID 119995528
2-benzylsulfanyl-N-(methylcarbamoyl)propanamide
CID 16527785
3-(2-benzylsulfanylpropanoylamino)butanoic acid
CID 119221152
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide (CID 119995886) is N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide is CC(CN)CNC(=O)C(C)SCc1ccccc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide?
The InChIKey is LVJFLAPBIHTIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(8-15)9-16-14(17)12(2)18-10-13-6-4-3-5-7-13/h3-7,11-12H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide?
N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide has a molecular weight of 266.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-benzylsulfanylpropanamide is sourced from PubChem (CID 119995886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).