3-methylsulfanyl-N-prop-2-enylpropanamide

C7H13NOS — CID 60636456

IUPAC3-methylsulfanyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCSC
InChIInChI=1S/C7H13NOS/c1-3-5-8-7(9)4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyGKVOBDPWYKCLNN-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.04
Rot. Bonds5

About 3-methylsulfanyl-N-prop-2-enylpropanamide

3-methylsulfanyl-N-prop-2-enylpropanamide (PubChem CID 60636456) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-methylsulfanyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-prop-2-enylpropanamide
PubChem CID60636456
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-methylsulfanyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCSC
InChIInChI=1S/C7H13NOS/c1-3-5-8-7(9)4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyGKVOBDPWYKCLNN-UHFFFAOYSA-N
XLogP1.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-methylsulfanyl-N-prop-2-enylpropanamide (CID 60636456) is 3-methylsulfanyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-methylsulfanyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-methylsulfanyl-N-prop-2-enylpropanamide is C=CCNC(=O)CCSC.
What is the InChIKey of 3-methylsulfanyl-N-prop-2-enylpropanamide?
The InChIKey is GKVOBDPWYKCLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-3-5-8-7(9)4-6-10-2/h3H,1,4-6H2,2H3,(H,8,9).
What are the key properties of 3-methylsulfanyl-N-prop-2-enylpropanamide?
3-methylsulfanyl-N-prop-2-enylpropanamide has a molecular weight of 159.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 60636456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).