N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide

C12H20N2O2S — CID 62212818

IUPACN-(1-carbamothioylcyclopentyl)oxane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CCCCO2)CCCC1
InChIInChI=1S/C12H20N2O2S/c13-11(17)12(6-2-3-7-12)14-10(15)9-5-1-4-8-16-9/h9H,1-8H2,(H2,13,17)(H,14,15)
InChIKeyQIIZPDOAYDVYLY-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds3

About N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide

N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide (PubChem CID 62212818) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)oxane-2-carboxamide
PubChem CID62212818
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(1-carbamothioylcyclopentyl)oxane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CCCCO2)CCCC1
InChIInChI=1S/C12H20N2O2S/c13-11(17)12(6-2-3-7-12)14-10(15)9-5-1-4-8-16-9/h9H,1-8H2,(H2,13,17)(H,14,15)
InChIKeyQIIZPDOAYDVYLY-UHFFFAOYSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide (CID 62212818) is N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide is NC(=S)C1(NC(=O)C2CCCCO2)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide?
The InChIKey is QIIZPDOAYDVYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c13-11(17)12(6-2-3-7-12)14-10(15)9-5-1-4-8-16-9/h9H,1-8H2,(H2,13,17)(H,14,15).
What are the key properties of N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide?
N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)oxane-2-carboxamide is sourced from PubChem (CID 62212818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).