2-(2-aminopropylsulfanyl)-N-benzylacetamide

C12H18N2OS — CID 66220422

IUPAC2-(2-aminopropylsulfanyl)-N-benzylacetamide
SMILESCC(N)CSCC(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-10(13)8-16-9-12(15)14-7-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)
InChIKeyQOAFRDZMTIIVFT-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.38
Rot. Bonds6

About 2-(2-aminopropylsulfanyl)-N-benzylacetamide

2-(2-aminopropylsulfanyl)-N-benzylacetamide (PubChem CID 66220422) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-benzylacetamide
PubChem CID66220422
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(2-aminopropylsulfanyl)-N-benzylacetamide
SMILESCC(N)CSCC(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-10(13)8-16-9-12(15)14-7-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)
InChIKeyQOAFRDZMTIIVFT-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 66219214
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290
N-benzyl-2-butylsulfanylacetamide
CID 112781296
N-benzyl-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064867
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-benzylacetamide
CID 79101821
2,3-diamino-N-benzylbutanamide
CID 143155055
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-benzylacetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-benzylacetamide (CID 66220422) is 2-(2-aminopropylsulfanyl)-N-benzylacetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-benzylacetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-benzylacetamide is CC(N)CSCC(=O)NCc1ccccc1.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-benzylacetamide?
The InChIKey is QOAFRDZMTIIVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10(13)8-16-9-12(15)14-7-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-benzylacetamide?
2-(2-aminopropylsulfanyl)-N-benzylacetamide has a molecular weight of 238.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-benzylacetamide is sourced from PubChem (CID 66220422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).