1-cycloheptyl-3-(2-methylcyclohexyl)thiourea

C15H28N2S — CID 43384781

IUPAC1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NC1CCCCCC1
InChIInChI=1S/C15H28N2S/c1-12-8-6-7-11-14(12)17-15(18)16-13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3,(H2,16,17,18)
InChIKeyPRUFSIUXKBOSSD-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.75
Rot. Bonds2

About 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea

1-cycloheptyl-3-(2-methylcyclohexyl)thiourea (PubChem CID 43384781) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
PubChem CID43384781
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
SMILESCC1CCCCC1NC(=S)NC1CCCCCC1
InChIInChI=1S/C15H28N2S/c1-12-8-6-7-11-14(12)17-15(18)16-13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3,(H2,16,17,18)
InChIKeyPRUFSIUXKBOSSD-UHFFFAOYSA-N
XLogP3.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-3-(2-methylcyclobutyl)thiourea
CID 131208942
1-cyclopentyl-3-(2,3-dimethylcyclopentyl)thiourea
CID 116508996
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-methylcyclohexyl)thiourea
CID 16553937
1-cyclopentyl-3-(2-methoxycyclopentyl)thiourea
CID 116508228
1-(cyclohexylideneamino)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9122148
1-(cycloheptylideneamino)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 9122110
N-(2-methylcyclohexyl)piperidine-1-carbothioamide
CID 43384639
1-(cyclopentylideneamino)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 9122119
1-(3,5-dimethylphenyl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8616309
1-(3,5-dimethylphenyl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8616302
1-cyclopropyl-3-(1,3-dimethylpiperidin-4-yl)thiourea
CID 115598623
1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea
CID 9122105

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea?
The IUPAC name of 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea (CID 43384781) is 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea.
What is the SMILES notation for 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea?
The canonical SMILES for 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea is CC1CCCCC1NC(=S)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea?
The InChIKey is PRUFSIUXKBOSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-12-8-6-7-11-14(12)17-15(18)16-13-9-4-2-3-5-10-13/h12-14H,2-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea?
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea has a molecular weight of 268.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-methylcyclohexyl)thiourea is sourced from PubChem (CID 43384781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).