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

C12H14N2OS — CID 78991804

IUPACN-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
SMILESCC(CC#N)NC(=O)CSc1ccccc1
InChIInChI=1S/C12H14N2OS/c1-10(7-8-13)14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7,9H2,1H3,(H,14,15)
InChIKeyRRCYKAKOFFRZCT-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.20
Rot. Bonds5

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

N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide (PubChem CID 78991804) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
PubChem CID78991804
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
SMILESCC(CC#N)NC(=O)CSc1ccccc1
InChIInChI=1S/C12H14N2OS/c1-10(7-8-13)14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7,9H2,1H3,(H,14,15)
InChIKeyRRCYKAKOFFRZCT-UHFFFAOYSA-N
XLogP2.20
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
N-(1-cyanobutyl)-2-phenylsulfanylacetamide
CID 78917962
N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
CID 62090634
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 132650617
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 99998889
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide (CID 78991804) is N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide is CC(CC#N)NC(=O)CSc1ccccc1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is RRCYKAKOFFRZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-10(7-8-13)14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7,9H2,1H3,(H,14,15).
What are the key properties of N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide?
N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide has a molecular weight of 234.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 78991804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).