1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea

C14H26N2OS — CID 103742081

IUPAC1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
SMILESCOC1CC(NC(=S)NC2CCCCC2)C1(C)C
InChIInChI=1S/C14H26N2OS/c1-14(2)11(9-12(14)17-3)16-13(18)15-10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H2,15,16,18)
InChIKeyUZVOSQXQFRPCCL-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.60
Rot. Bonds3

About 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea

1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea (PubChem CID 103742081) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
PubChem CID103742081
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
SMILESCOC1CC(NC(=S)NC2CCCCC2)C1(C)C
InChIInChI=1S/C14H26N2OS/c1-14(2)11(9-12(14)17-3)16-13(18)15-10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H2,15,16,18)
InChIKeyUZVOSQXQFRPCCL-UHFFFAOYSA-N
XLogP2.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.60
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

1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
CID 103742031
1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
CID 103742080
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
CID 104768155
1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea
CID 116508228
N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide
CID 103743813
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)cyclopentane-1-carboxamide
CID 113267245
N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
CID 130677750
1-cyclopentyl-3-(1-methylcyclopentyl)thiourea
CID 116508968
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea (CID 103742081) is 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea is COC1CC(NC(=S)NC2CCCCC2)C1(C)C.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea?
The InChIKey is UZVOSQXQFRPCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-14(2)11(9-12(14)17-3)16-13(18)15-10-7-5-4-6-8-10/h10-12H,4-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea?
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea has a molecular weight of 270.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea is sourced from PubChem (CID 103742081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).