2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide

C8H15N3O3S — CID 81190030

IUPAC2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide
SMILESCC(N)CS(=O)(=O)CC(=O)NCCC#N
InChIInChI=1S/C8H15N3O3S/c1-7(10)5-15(13,14)6-8(12)11-4-2-3-9/h7H,2,4-6,10H2,1H3,(H,11,12)
InChIKeyFNHAPGUWVNHCLO-UHFFFAOYSA-N
MW233.29 g/mol
LogP-1.22
Rot. Bonds6

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

2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide (PubChem CID 81190030) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide
PubChem CID81190030
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide
SMILESCC(N)CS(=O)(=O)CC(=O)NCCC#N
InChIInChI=1S/C8H15N3O3S/c1-7(10)5-15(13,14)6-8(12)11-4-2-3-9/h7H,2,4-6,10H2,1H3,(H,11,12)
InChIKeyFNHAPGUWVNHCLO-UHFFFAOYSA-N
XLogP-1.22
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide (CID 81190030) is 2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide is CC(N)CS(=O)(=O)CC(=O)NCCC#N.
What is the InChIKey of 2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide?
The InChIKey is FNHAPGUWVNHCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-7(10)5-15(13,14)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-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide?
2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide has a molecular weight of 233.29 g/mol, XLogP of -1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfonyl)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 81190030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).