3-methylsulfonylpropylcyanamide

C5H10N2O2S — CID 62482051

IUPAC3-methylsulfonylpropylcyanamide
SMILESCS(=O)(=O)CCCNC#N
InChIInChI=1S/C5H10N2O2S/c1-10(8,9)4-2-3-7-5-6/h7H,2-4H2,1H3
InChIKeyRYUMNTQJDJCGMH-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.51
Rot. Bonds4

About 3-methylsulfonylpropylcyanamide

3-methylsulfonylpropylcyanamide (PubChem CID 62482051) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-methylsulfonylpropylcyanamide.

Molecular Properties

Compound Name3-methylsulfonylpropylcyanamide
PubChem CID62482051
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name3-methylsulfonylpropylcyanamide
SMILESCS(=O)(=O)CCCNC#N
InChIInChI=1S/C5H10N2O2S/c1-10(8,9)4-2-3-7-5-6/h7H,2-4H2,1H3
InChIKeyRYUMNTQJDJCGMH-UHFFFAOYSA-N
XLogP-0.51
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpropylcyanamide?
The IUPAC name of 3-methylsulfonylpropylcyanamide (CID 62482051) is 3-methylsulfonylpropylcyanamide.
What is the SMILES notation for 3-methylsulfonylpropylcyanamide?
The canonical SMILES for 3-methylsulfonylpropylcyanamide is CS(=O)(=O)CCCNC#N.
What is the InChIKey of 3-methylsulfonylpropylcyanamide?
The InChIKey is RYUMNTQJDJCGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-10(8,9)4-2-3-7-5-6/h7H,2-4H2,1H3.
What are the key properties of 3-methylsulfonylpropylcyanamide?
3-methylsulfonylpropylcyanamide has a molecular weight of 162.21 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpropylcyanamide is sourced from PubChem (CID 62482051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).