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

C14H25NO2S — CID 24764435

IUPACN-[(3S)-2-oxothiolan-3-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H]1CCSC1=O
InChIInChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyPZUMIWRJDZWNPN-LBPRGKRZSA-N
MW271.43 g/mol
LogP3.28
Rot. Bonds9

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

N-[(3S)-2-oxothiolan-3-yl]decanamide (PubChem CID 24764435) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[(3S)-2-oxothiolan-3-yl]decanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxothiolan-3-yl]decanamide
PubChem CID24764435
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-[(3S)-2-oxothiolan-3-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@H]1CCSC1=O
InChIInChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyPZUMIWRJDZWNPN-LBPRGKRZSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]decanamide?
The IUPAC name of N-[(3S)-2-oxothiolan-3-yl]decanamide (CID 24764435) is N-[(3S)-2-oxothiolan-3-yl]decanamide.
What is the SMILES notation for N-[(3S)-2-oxothiolan-3-yl]decanamide?
The canonical SMILES for N-[(3S)-2-oxothiolan-3-yl]decanamide is CCCCCCCCCC(=O)N[C@H]1CCSC1=O.
What is the InChIKey of N-[(3S)-2-oxothiolan-3-yl]decanamide?
The InChIKey is PZUMIWRJDZWNPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(3S)-2-oxothiolan-3-yl]decanamide?
N-[(3S)-2-oxothiolan-3-yl]decanamide has a molecular weight of 271.43 g/mol, XLogP of 3.28, 9 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]decanamide is sourced from PubChem (CID 24764435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).