N-[(3S)-2-oxothiolan-3-yl]pentanamide

C9H15NO2S — CID 102460977

IUPACN-[(3S)-2-oxothiolan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1CCSC1=O
InChIInChI=1S/C9H15NO2S/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyOTSTYTLNRMJEFY-ZETCQYMHSA-N
MW201.29 g/mol
LogP1.32
Rot. Bonds4

About N-[(3S)-2-oxothiolan-3-yl]pentanamide

N-[(3S)-2-oxothiolan-3-yl]pentanamide (PubChem CID 102460977) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-[(3S)-2-oxothiolan-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxothiolan-3-yl]pentanamide
PubChem CID102460977
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-[(3S)-2-oxothiolan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1CCSC1=O
InChIInChI=1S/C9H15NO2S/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyOTSTYTLNRMJEFY-ZETCQYMHSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.32
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 N-[(3S)-2-oxothiolan-3-yl]pentanamide?
The IUPAC name of N-[(3S)-2-oxothiolan-3-yl]pentanamide (CID 102460977) is N-[(3S)-2-oxothiolan-3-yl]pentanamide.
What is the SMILES notation for N-[(3S)-2-oxothiolan-3-yl]pentanamide?
The canonical SMILES for N-[(3S)-2-oxothiolan-3-yl]pentanamide is CCCCC(=O)N[C@H]1CCSC1=O.
What is the InChIKey of N-[(3S)-2-oxothiolan-3-yl]pentanamide?
The InChIKey is OTSTYTLNRMJEFY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-2-3-4-8(11)10-7-5-6-13-9(7)12/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-2-oxothiolan-3-yl]pentanamide?
N-[(3S)-2-oxothiolan-3-yl]pentanamide has a molecular weight of 201.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxothiolan-3-yl]pentanamide is sourced from PubChem (CID 102460977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).