2-methyl-N-(2-oxothiolan-3-yl)pentanamide

C10H17NO2S — CID 2904782

IUPAC2-methyl-N-(2-oxothiolan-3-yl)pentanamide
SMILESCCCC(C)C(=O)NC1CCSC1=O
InChIInChI=1S/C10H17NO2S/c1-3-4-7(2)9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyMPVYGOCMNUHQEV-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-N-(2-oxothiolan-3-yl)pentanamide

2-methyl-N-(2-oxothiolan-3-yl)pentanamide (PubChem CID 2904782) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-methyl-N-(2-oxothiolan-3-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxothiolan-3-yl)pentanamide
PubChem CID2904782
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-methyl-N-(2-oxothiolan-3-yl)pentanamide
SMILESCCCC(C)C(=O)NC1CCSC1=O
InChIInChI=1S/C10H17NO2S/c1-3-4-7(2)9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyMPVYGOCMNUHQEV-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxothiolan-3-yl)pentanamide?
The IUPAC name of 2-methyl-N-(2-oxothiolan-3-yl)pentanamide (CID 2904782) is 2-methyl-N-(2-oxothiolan-3-yl)pentanamide.
What is the SMILES notation for 2-methyl-N-(2-oxothiolan-3-yl)pentanamide?
The canonical SMILES for 2-methyl-N-(2-oxothiolan-3-yl)pentanamide is CCCC(C)C(=O)NC1CCSC1=O.
What is the InChIKey of 2-methyl-N-(2-oxothiolan-3-yl)pentanamide?
The InChIKey is MPVYGOCMNUHQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-4-7(2)9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-N-(2-oxothiolan-3-yl)pentanamide?
2-methyl-N-(2-oxothiolan-3-yl)pentanamide has a molecular weight of 215.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxothiolan-3-yl)pentanamide is sourced from PubChem (CID 2904782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).