1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea

C13H26N2S — CID 102794704

IUPAC1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC1CCCC(C)CC1
InChIInChI=1S/C13H26N2S/c1-10(2)9-14-13(16)15-12-6-4-5-11(3)7-8-12/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyIMIDKIIVLCRJNM-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.08
Rot. Bonds3

About 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea

1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea (PubChem CID 102794704) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
PubChem CID102794704
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea
SMILESCC(C)CNC(=S)NC1CCCC(C)CC1
InChIInChI=1S/C13H26N2S/c1-10(2)9-14-13(16)15-12-6-4-5-11(3)7-8-12/h10-12H,4-9H2,1-3H3,(H2,14,15,16)
InChIKeyIMIDKIIVLCRJNM-UHFFFAOYSA-N
XLogP3.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.08
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-(4-methylcycloheptyl)-3-propan-2-ylthiourea
CID 102794706
1-cyclobutyl-3-[(2S)-2-hydroxypropyl]thiourea
CID 131160107
1-(3,4-dimethylcyclohexyl)-3-(2-methylpropyl)thiourea
CID 104587670
1-cyclopentyl-3-(2,3-dimethylbutyl)thiourea
CID 116508951
2-(cyclohexylcarbamothioylamino)-N-(2-methylpropyl)acetamide
CID 49154483
1-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)thiourea
CID 17264003
1-(2-methylpropyl)-3-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]thiourea
CID 1461392
1-cyclopentyl-3-[2-(dimethylamino)propyl]thiourea
CID 116508117
1-(2-methylpropyl)-3-(thiolan-3-yl)thiourea
CID 103709712
1-cyclopentyl-3-(2,2-difluoroethyl)thiourea
CID 116509660
1-(1,2-dimethylpiperidin-4-yl)-3-(2-methylpropyl)thiourea
CID 115647028
1-(2-hydroxyethyl)-3-(3-methylcyclohexyl)thiourea
CID 18621688

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea (CID 102794704) is 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea is CC(C)CNC(=S)NC1CCCC(C)CC1.
What is the InChIKey of 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea?
The InChIKey is IMIDKIIVLCRJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-10(2)9-14-13(16)15-12-6-4-5-11(3)7-8-12/h10-12H,4-9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea?
1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea has a molecular weight of 242.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcycloheptyl)-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 102794704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).