N-(3-aminobutyl)-2-phenylsulfanylacetamide

C12H18N2OS — CID 63253683

IUPACN-(3-aminobutyl)-2-phenylsulfanylacetamide
SMILESCC(N)CCNC(=O)CSc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-10(13)7-8-14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)
InChIKeyAWJWHLRBUMCHDM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.63
Rot. Bonds6

About N-(3-aminobutyl)-2-phenylsulfanylacetamide

N-(3-aminobutyl)-2-phenylsulfanylacetamide (PubChem CID 63253683) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-phenylsulfanylacetamide
PubChem CID63253683
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(3-aminobutyl)-2-phenylsulfanylacetamide
SMILESCC(N)CCNC(=O)CSc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-10(13)7-8-14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)
InChIKeyAWJWHLRBUMCHDM-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710
N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
CID 106156966
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 64662539
N-(3-aminobutyl)-2-phenacylsulfanylacetamide;hydrochloride
CID 119495825
N-[2-[4-[amino(hydroxy)methyl]phenyl]ethyl]-2-phenylsulfanylacetamide
CID 90126046
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
2-methyl-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 80538437
N-(3-aminobutyl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 119496004
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-aminobutyl)-2-phenylsulfanylacetamide (CID 63253683) is N-(3-aminobutyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-aminobutyl)-2-phenylsulfanylacetamide is CC(N)CCNC(=O)CSc1ccccc1.
What is the InChIKey of N-(3-aminobutyl)-2-phenylsulfanylacetamide?
The InChIKey is AWJWHLRBUMCHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10(13)7-8-14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15).
What are the key properties of N-(3-aminobutyl)-2-phenylsulfanylacetamide?
N-(3-aminobutyl)-2-phenylsulfanylacetamide has a molecular weight of 238.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 63253683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).