1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide

C14H24N2O2S — CID 55033369

IUPAC1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide
SMILESCOC1CCCC1NC(=O)C1(C(N)=S)CCCCC1
InChIInChI=1S/C14H24N2O2S/c1-18-11-7-5-6-10(11)16-13(17)14(12(15)19)8-3-2-4-9-14/h10-11H,2-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyYSQUVKFVUHQSHK-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.91
Rot. Bonds4

About 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide

1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide (PubChem CID 55033369) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide
PubChem CID55033369
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide
SMILESCOC1CCCC1NC(=O)C1(C(N)=S)CCCCC1
InChIInChI=1S/C14H24N2O2S/c1-18-11-7-5-6-10(11)16-13(17)14(12(15)19)8-3-2-4-9-14/h10-11H,2-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyYSQUVKFVUHQSHK-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
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 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide (CID 55033369) is 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide is COC1CCCC1NC(=O)C1(C(N)=S)CCCCC1.
What is the InChIKey of 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is YSQUVKFVUHQSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-18-11-7-5-6-10(11)16-13(17)14(12(15)19)8-3-2-4-9-14/h10-11H,2-9H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide?
1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 284.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55033369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).