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

C13H22N2O2S — CID 62212995

IUPACN-(1-carbamothioylcyclohexyl)oxane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CCCCO2)CCCCC1
InChIInChI=1S/C13H22N2O2S/c14-12(18)13(7-3-1-4-8-13)15-11(16)10-6-2-5-9-17-10/h10H,1-9H2,(H2,14,18)(H,15,16)
InChIKeyHWPGEGCSUHRQPV-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.66
Rot. Bonds3

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

N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide (PubChem CID 62212995) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)oxane-2-carboxamide
PubChem CID62212995
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(1-carbamothioylcyclohexyl)oxane-2-carboxamide
SMILESNC(=S)C1(NC(=O)C2CCCCO2)CCCCC1
InChIInChI=1S/C13H22N2O2S/c14-12(18)13(7-3-1-4-8-13)15-11(16)10-6-2-5-9-17-10/h10H,1-9H2,(H2,14,18)(H,15,16)
InChIKeyHWPGEGCSUHRQPV-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-carbamothioylcyclooctyl)oxane-2-carboxamide
CID 62213540
methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cycloheptane-1-carboxylate
CID 94823655
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
N-(1-carbamothioylcyclohexyl)thiane-2-carboxamide
CID 80593957
3-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 62214759
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
1-(1-carbamothioylcyclooctyl)-3-cyclohexylurea
CID 61122181
N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
CID 62212636
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366521
N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
CID 62667262
2-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 55047892

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide (CID 62212995) is N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide is NC(=S)C1(NC(=O)C2CCCCO2)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide?
The InChIKey is HWPGEGCSUHRQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c14-12(18)13(7-3-1-4-8-13)15-11(16)10-6-2-5-9-17-10/h10H,1-9H2,(H2,14,18)(H,15,16).
What are the key properties of N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide?
N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide is sourced from PubChem (CID 62212995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).