3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide

C16H28N2OS — CID 4934359

IUPAC3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide
SMILESO=C(CCC1CCCCC1)NC(=S)NC1CCCCC1
InChIInChI=1S/C16H28N2OS/c19-15(12-11-13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h13-14H,1-12H2,(H2,17,18,19,20)
InChIKeyHAPOYQUVXAETFF-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.67
Rot. Bonds4

About 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide

3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide (PubChem CID 4934359) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide
PubChem CID4934359
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide
SMILESO=C(CCC1CCCCC1)NC(=S)NC1CCCCC1
InChIInChI=1S/C16H28N2OS/c19-15(12-11-13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h13-14H,1-12H2,(H2,17,18,19,20)
InChIKeyHAPOYQUVXAETFF-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.67
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

N-(cyclohexylcarbamothioyl)octanamide
CID 4958923
3-cyclohexyl-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653177
(3-cyclohexylpropanoylamino)thiourea
CID 65214782
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]-2-methylpropanamide
CID 17188061
3-cyclohexyl-N-[(4-prop-2-enoxyphenyl)carbamothioyl]propanamide
CID 4952642
3-cyclohexyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
CID 4940830
3-cyclohexyl-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]propanamide
CID 4934778
3-cyclohexyl-N-[(4-phenoxyphenyl)carbamothioyl]propanamide
CID 4934258
3-cyclohexyl-N-[(2-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 17093667
3-cyclohexyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168099
4-tert-butyl-N-[4-(3-cyclohexylpropanoylcarbamothioylamino)phenyl]benzamide
CID 17235258

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide (CID 4934359) is 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide is O=C(CCC1CCCCC1)NC(=S)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide?
The InChIKey is HAPOYQUVXAETFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c19-15(12-11-13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h13-14H,1-12H2,(H2,17,18,19,20).
What are the key properties of 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide?
3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide has a molecular weight of 296.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(cyclohexylcarbamothioyl)propanamide is sourced from PubChem (CID 4934359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).