[4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid

C10H18N2O2S — CID 151346902

IUPAC[4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid
SMILESCN(C)C(=S)C1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H18N2O2S/c1-12(2)9(15)7-3-5-8(6-4-7)11-10(13)14/h7-8,11H,3-6H2,1-2H3,(H,13,14)
InChIKeyOLQVRFZTGKLKEC-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.70
Rot. Bonds2

About [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid

[4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid (PubChem CID 151346902) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid
PubChem CID151346902
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name[4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid
SMILESCN(C)C(=S)C1CCC(NC(=O)O)CC1
InChIInChI=1S/C10H18N2O2S/c1-12(2)9(15)7-3-5-8(6-4-7)11-10(13)14/h7-8,11H,3-6H2,1-2H3,(H,13,14)
InChIKeyOLQVRFZTGKLKEC-UHFFFAOYSA-N
XLogP1.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-(tert-butylcarbamothioyl)cyclopentyl]carbamic acid
CID 88962222
(4-iodocyclohexyl)carbamic acid
CID 68625935
(4-methoxycyclohexyl)carbamic acid
CID 68557751
(4-ethynylcyclohexyl)carbamic acid
CID 90421089
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382
[4-(2,2-difluoropropylamino)cyclohexyl]carbamic acid
CID 175970805
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
CID 70827651
cyclohexylcarbamic acid;hydrate
CID 172719994
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
[4-[(2-hydroxyacetyl)amino]cyclohexyl]carbamic acid
CID 156534377
[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
CID 66819444
(4-isothiocyanatocyclohexyl)carbamic acid
CID 122480054

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid (CID 151346902) is [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid is CN(C)C(=S)C1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid?
The InChIKey is OLQVRFZTGKLKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-12(2)9(15)7-3-5-8(6-4-7)11-10(13)14/h7-8,11H,3-6H2,1-2H3,(H,13,14).
What are the key properties of [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid?
[4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid has a molecular weight of 230.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylcarbamothioyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 151346902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).