2-imino-N-methylsulfanylpent-3-enamide

C6H10N2OS — CID 123510410

IUPAC2-imino-N-methylsulfanylpent-3-enamide
SMILES[H]/N=C(\C=CC)C(=O)NSC
InChIInChI=1S/C6H10N2OS/c1-3-4-5(7)6(9)8-10-2/h3-4,7H,1-2H3,(H,8,9)/b4-3?,7-5+
InChIKeyJGQMCUKANBUGNH-LDPJEHJDSA-N
MW158.23 g/mol
LogP0.98
Rot. Bonds3

About 2-imino-N-methylsulfanylpent-3-enamide

2-imino-N-methylsulfanylpent-3-enamide (PubChem CID 123510410) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 2-imino-N-methylsulfanylpent-3-enamide.

Molecular Properties

Compound Name2-imino-N-methylsulfanylpent-3-enamide
PubChem CID123510410
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name2-imino-N-methylsulfanylpent-3-enamide
SMILES[H]/N=C(\C=CC)C(=O)NSC
InChIInChI=1S/C6H10N2OS/c1-3-4-5(7)6(9)8-10-2/h3-4,7H,1-2H3,(H,8,9)/b4-3?,7-5+
InChIKeyJGQMCUKANBUGNH-LDPJEHJDSA-N
XLogP0.98
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N-methylsulfanylpent-3-enamide?
The IUPAC name of 2-imino-N-methylsulfanylpent-3-enamide (CID 123510410) is 2-imino-N-methylsulfanylpent-3-enamide.
What is the SMILES notation for 2-imino-N-methylsulfanylpent-3-enamide?
The canonical SMILES for 2-imino-N-methylsulfanylpent-3-enamide is [H]/N=C(\C=CC)C(=O)NSC.
What is the InChIKey of 2-imino-N-methylsulfanylpent-3-enamide?
The InChIKey is JGQMCUKANBUGNH-LDPJEHJDSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-3-4-5(7)6(9)8-10-2/h3-4,7H,1-2H3,(H,8,9)/b4-3?,7-5+.
What are the key properties of 2-imino-N-methylsulfanylpent-3-enamide?
2-imino-N-methylsulfanylpent-3-enamide has a molecular weight of 158.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-methylsulfanylpent-3-enamide is sourced from PubChem (CID 123510410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).