N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide

C12H18N2OS — CID 65193463

IUPACN-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide
SMILESCCC(CN)NC(=O)CSc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-2-10(8-13)14-12(15)9-16-11-6-4-3-5-7-11/h3-7,10H,2,8-9,13H2,1H3,(H,14,15)
InChIKeyLQLZNQLHKLYFAN-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.63
Rot. Bonds6

About N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide

N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide (PubChem CID 65193463) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide
PubChem CID65193463
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide
SMILESCCC(CN)NC(=O)CSc1ccccc1
InChIInChI=1S/C12H18N2OS/c1-2-10(8-13)14-12(15)9-16-11-6-4-3-5-7-11/h3-7,10H,2,8-9,13H2,1H3,(H,14,15)
InChIKeyLQLZNQLHKLYFAN-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-(1-aminopentan-2-yl)-2-phenylsulfanylacetamide
CID 65191100
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
2-(4-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 54956909
4-[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylbenzoic acid
CID 60709345
2-(3-aminophenyl)sulfanyl-N-pentan-3-ylacetamide
CID 79134330
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
ethyl 2-hydroxy-2-[(2-phenylsulfanylacetyl)amino]acetate
CID 121015373
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide (CID 65193463) is N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide is CCC(CN)NC(=O)CSc1ccccc1.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is LQLZNQLHKLYFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-10(8-13)14-12(15)9-16-11-6-4-3-5-7-11/h3-7,10H,2,8-9,13H2,1H3,(H,14,15).
What are the key properties of N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide?
N-(1-aminobutan-2-yl)-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-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 65193463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).