4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide

C14H24N2O2S — CID 55261983

IUPAC4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide
SMILESCC1(CNC(=O)C2(C(N)=S)CCOCC2)CCCC1
InChIInChI=1S/C14H24N2O2S/c1-13(4-2-3-5-13)10-16-12(17)14(11(15)19)6-8-18-9-7-14/h2-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyRFMCPGBVPMSORO-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.77
Rot. Bonds4

About 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide

4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide (PubChem CID 55261983) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide
PubChem CID55261983
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide
SMILESCC1(CNC(=O)C2(C(N)=S)CCOCC2)CCCC1
InChIInChI=1S/C14H24N2O2S/c1-13(4-2-3-5-13)10-16-12(17)14(11(15)19)6-8-18-9-7-14/h2-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyRFMCPGBVPMSORO-UHFFFAOYSA-N
XLogP1.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.77
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 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide (CID 55261983) is 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide is CC1(CNC(=O)C2(C(N)=S)CCOCC2)CCCC1.
What is the InChIKey of 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide?
The InChIKey is RFMCPGBVPMSORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-13(4-2-3-5-13)10-16-12(17)14(11(15)19)6-8-18-9-7-14/h2-10H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide?
4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-[(1-methylcyclopentyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 55261983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).