1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea

C10H20N2S — CID 47509083

IUPAC1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea
SMILESCNC(=S)NCC1CCCC(C)C1
InChIInChI=1S/C10H20N2S/c1-8-4-3-5-9(6-8)7-12-10(13)11-2/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyWQJFUVGBJGNARG-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.91
Rot. Bonds2

About 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea

1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea (PubChem CID 47509083) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea
PubChem CID47509083
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea
SMILESCNC(=S)NCC1CCCC(C)C1
InChIInChI=1S/C10H20N2S/c1-8-4-3-5-9(6-8)7-12-10(13)11-2/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyWQJFUVGBJGNARG-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.91
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-(cyclopropylmethyl)-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111868697
1-amino-3-(cyclobutylmethyl)thiourea
CID 43298783
2-carbamothioyl-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 114130331
1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
3-methyl-N-[(3-methylcyclohexyl)methyl]but-2-enamide
CID 130157819
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119750255
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
1-cyclopropyl-2-methyl-3-[(3-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110934560
2-methyl-1-[(3-methylcyclohexyl)methyl]-3-(2-methylcyclopropyl)guanidine
CID 111962409
2-amino-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 103795901
N-methoxy-1-[(1S,3S)-3-methylcyclohexyl]methanamine
CID 124574787

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea?
The IUPAC name of 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea (CID 47509083) is 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea.
What is the SMILES notation for 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea?
The canonical SMILES for 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea is CNC(=S)NCC1CCCC(C)C1.
What is the InChIKey of 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea?
The InChIKey is WQJFUVGBJGNARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8-4-3-5-9(6-8)7-12-10(13)11-2/h8-9H,3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea?
1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea has a molecular weight of 200.35 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylcyclohexyl)methyl]thiourea is sourced from PubChem (CID 47509083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).