N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide

C14H24N2O2S — CID 62212996

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide
SMILESCC1CCC(NC(=O)C2CCCCO2)(C(N)=S)CC1
InChIInChI=1S/C14H24N2O2S/c1-10-5-7-14(8-6-10,13(15)19)16-12(17)11-4-2-3-9-18-11/h10-11H,2-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyKOGOJXCYVDNWEO-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.91
Rot. Bonds3

About N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide

N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide (PubChem CID 62212996) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide
PubChem CID62212996
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide
SMILESCC1CCC(NC(=O)C2CCCCO2)(C(N)=S)CC1
InChIInChI=1S/C14H24N2O2S/c1-10-5-7-14(8-6-10,13(15)19)16-12(17)11-4-2-3-9-18-11/h10-11H,2-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyKOGOJXCYVDNWEO-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.91
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-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide (CID 62212996) is N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide is CC1CCC(NC(=O)C2CCCCO2)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide?
The InChIKey is KOGOJXCYVDNWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10-5-7-14(8-6-10,13(15)19)16-12(17)11-4-2-3-9-18-11/h10-11H,2-9H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide?
N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-methylcyclohexyl)oxane-2-carboxamide is sourced from PubChem (CID 62212996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).