N-cyclopropylsulfanyl-2-methylpent-4-enamide

C9H15NOS — CID 143826494

IUPACN-cyclopropylsulfanyl-2-methylpent-4-enamide
SMILESC=CCC(C)C(=O)NSC1CC1
InChIInChI=1S/C9H15NOS/c1-3-4-7(2)9(11)10-12-8-5-6-8/h3,7-8H,1,4-6H2,2H3,(H,10,11)
InChIKeyUXRJDVYIWRDTGK-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.13
Rot. Bonds5

About N-cyclopropylsulfanyl-2-methylpent-4-enamide

N-cyclopropylsulfanyl-2-methylpent-4-enamide (PubChem CID 143826494) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is N-cyclopropylsulfanyl-2-methylpent-4-enamide.

Molecular Properties

Compound NameN-cyclopropylsulfanyl-2-methylpent-4-enamide
PubChem CID143826494
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC NameN-cyclopropylsulfanyl-2-methylpent-4-enamide
SMILESC=CCC(C)C(=O)NSC1CC1
InChIInChI=1S/C9H15NOS/c1-3-4-7(2)9(11)10-12-8-5-6-8/h3,7-8H,1,4-6H2,2H3,(H,10,11)
InChIKeyUXRJDVYIWRDTGK-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 N-cyclopropylsulfanyl-2-methylpent-4-enamide?
The IUPAC name of N-cyclopropylsulfanyl-2-methylpent-4-enamide (CID 143826494) is N-cyclopropylsulfanyl-2-methylpent-4-enamide.
What is the SMILES notation for N-cyclopropylsulfanyl-2-methylpent-4-enamide?
The canonical SMILES for N-cyclopropylsulfanyl-2-methylpent-4-enamide is C=CCC(C)C(=O)NSC1CC1.
What is the InChIKey of N-cyclopropylsulfanyl-2-methylpent-4-enamide?
The InChIKey is UXRJDVYIWRDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-4-7(2)9(11)10-12-8-5-6-8/h3,7-8H,1,4-6H2,2H3,(H,10,11).
What are the key properties of N-cyclopropylsulfanyl-2-methylpent-4-enamide?
N-cyclopropylsulfanyl-2-methylpent-4-enamide has a molecular weight of 185.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfanyl-2-methylpent-4-enamide is sourced from PubChem (CID 143826494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).