2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide

C8H15N3OS — CID 66219221

IUPAC2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide
SMILESCC(N)CSCC(=O)NCCC#N
InChIInChI=1S/C8H15N3OS/c1-7(10)5-13-6-8(12)11-4-2-3-9/h7H,2,4-6,10H2,1H3,(H,11,12)
InChIKeyCNPQZRURBMYNOK-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.10
Rot. Bonds6

About 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide

2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide (PubChem CID 66219221) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide
PubChem CID66219221
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide
SMILESCC(N)CSCC(=O)NCCC#N
InChIInChI=1S/C8H15N3OS/c1-7(10)5-13-6-8(12)11-4-2-3-9/h7H,2,4-6,10H2,1H3,(H,11,12)
InChIKeyCNPQZRURBMYNOK-UHFFFAOYSA-N
XLogP0.10
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminobutylsulfanyl)-N-(2-cyanoethyl)acetamide
CID 66234869
N-(2-cyanoethyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105822
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
2-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105353419
2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide
CID 81190030
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422
N-(2-cyanoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7892944
(2S)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107773461
(2R)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 61141834
2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66218210

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide (CID 66219221) is 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide is CC(N)CSCC(=O)NCCC#N.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide?
The InChIKey is CNPQZRURBMYNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-7(10)5-13-6-8(12)11-4-2-3-9/h7H,2,4-6,10H2,1H3,(H,11,12).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide?
2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide has a molecular weight of 201.29 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 66219221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).