1-[cyclohexyl(methyl)amino]-1-methylthiourea

C9H19N3S — CID 174786278

IUPAC1-[cyclohexyl(methyl)amino]-1-methylthiourea
SMILESCN(C(N)=S)N(C)C1CCCCC1
InChIInChI=1S/C9H19N3S/c1-11(12(2)9(10)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,10,13)
InChIKeyUQHVJJKGYQFEPY-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.34
Rot. Bonds2

About 1-[cyclohexyl(methyl)amino]-1-methylthiourea

1-[cyclohexyl(methyl)amino]-1-methylthiourea (PubChem CID 174786278) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-1-methylthiourea.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-1-methylthiourea
PubChem CID174786278
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name1-[cyclohexyl(methyl)amino]-1-methylthiourea
SMILESCN(C(N)=S)N(C)C1CCCCC1
InChIInChI=1S/C9H19N3S/c1-11(12(2)9(10)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,10,13)
InChIKeyUQHVJJKGYQFEPY-UHFFFAOYSA-N
XLogP1.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-1-methylthiourea?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-1-methylthiourea (CID 174786278) is 1-[cyclohexyl(methyl)amino]-1-methylthiourea.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-1-methylthiourea?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-1-methylthiourea is CN(C(N)=S)N(C)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-1-methylthiourea?
The InChIKey is UQHVJJKGYQFEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-11(12(2)9(10)13)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H2,10,13).
What are the key properties of 1-[cyclohexyl(methyl)amino]-1-methylthiourea?
1-[cyclohexyl(methyl)amino]-1-methylthiourea has a molecular weight of 201.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-1-methylthiourea is sourced from PubChem (CID 174786278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).