N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide

C13H22N2O2S — CID 2908132

IUPACN-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide
SMILESO=C(NC(=S)NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C13H22N2O2S/c16-12(10-5-2-1-3-6-10)15-13(18)14-9-11-7-4-8-17-11/h10-11H,1-9H2,(H2,14,15,16,18)
InChIKeyMXDKVPMEFVDXHE-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.74
Rot. Bonds3

About N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide

N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide (PubChem CID 2908132) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide
PubChem CID2908132
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide
SMILESO=C(NC(=S)NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C13H22N2O2S/c16-12(10-5-2-1-3-6-10)15-13(18)14-9-11-7-4-8-17-11/h10-11H,1-9H2,(H2,14,15,16,18)
InChIKeyMXDKVPMEFVDXHE-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide 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

1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607
2-methyl-N-(oxolan-2-ylmethylcarbamothioyl)propanamide
CID 19176066
4-N-cyclohexyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146083
N-(oxolan-2-ylmethylcarbamothioyl)adamantane-1-carboxamide
CID 54787534
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)thiourea
CID 43075805
N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]cyclohexanecarboxamide
CID 17161282
1-[[(2S)-oxolan-2-yl]methyl]-3-[3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]propyl]thiourea
CID 8669320
1-(3-cyclohexylpropanoylamino)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 40632908
methyl N-(oxolan-2-ylmethylcarbamothioylamino)carbamate
CID 17373236
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 51609217
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 51609216

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide?
The IUPAC name of N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide (CID 2908132) is N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide?
The canonical SMILES for N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide is O=C(NC(=S)NCC1CCCO1)C1CCCCC1.
What is the InChIKey of N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide?
The InChIKey is MXDKVPMEFVDXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c16-12(10-5-2-1-3-6-10)15-13(18)14-9-11-7-4-8-17-11/h10-11H,1-9H2,(H2,14,15,16,18).
What are the key properties of N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide?
N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide has a molecular weight of 270.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethylcarbamothioyl)cyclohexanecarboxamide is sourced from PubChem (CID 2908132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).