3-amino-1-cyclohexyl-1-methylthiourea

C8H17N3S — CID 19847526

IUPAC3-amino-1-cyclohexyl-1-methylthiourea
SMILESCN(C(=S)NN)C1CCCCC1
InChIInChI=1S/C8H17N3S/c1-11(8(12)10-9)7-5-3-2-4-6-7/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyMCRILYZXLMKAEB-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.00
Rot. Bonds1

About 3-amino-1-cyclohexyl-1-methylthiourea

3-amino-1-cyclohexyl-1-methylthiourea (PubChem CID 19847526) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-1-methylthiourea.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-1-methylthiourea
PubChem CID19847526
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name3-amino-1-cyclohexyl-1-methylthiourea
SMILESCN(C(=S)NN)C1CCCCC1
InChIInChI=1S/C8H17N3S/c1-11(8(12)10-9)7-5-3-2-4-6-7/h7H,2-6,9H2,1H3,(H,10,12)
InChIKeyMCRILYZXLMKAEB-UHFFFAOYSA-N
XLogP1.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

n-Cyclohexyl-2,2-dimethylhydrazine-1-carbothioamide
CID 2307646
N-cyclohexyl-N-methylthiourea
CID 12532325
1-Cyclohexyl-3-(methylamino)thiourea
CID 12869138
N-Cyclopentyl-N-methylhydrazinecarbothioamide
CID 19847577
1-Cyclohexyl-1-(dimethylamino)thiourea
CID 89915328
3-(Cyclohexylamino)-1,1-dimethylthiourea
CID 141426043
3-Amino-1-cyclohexyl-1-methylthiourea;hydrochloride
CID 153528209
3-Amino-1-cyclohexyl-1-methylthiourea;copper
CID 159613247
1-Cyclohexyl-3-(methyliodanuidylamino)thiourea
CID 164083780
N~1~-cyclohexyl-N~2~-methyl-1,2-hydrazinedicarbothioamide
CID 2729580
1-Cyclohexyl-3-(ethylcarbamothioylamino)thiourea
CID 7941887
1-Cyclohexyl-3-(pentylcarbamothioylamino)thiourea
CID 8677704

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-1-methylthiourea?
The IUPAC name of 3-amino-1-cyclohexyl-1-methylthiourea (CID 19847526) is 3-amino-1-cyclohexyl-1-methylthiourea.
What is the SMILES notation for 3-amino-1-cyclohexyl-1-methylthiourea?
The canonical SMILES for 3-amino-1-cyclohexyl-1-methylthiourea is CN(C(=S)NN)C1CCCCC1.
What is the InChIKey of 3-amino-1-cyclohexyl-1-methylthiourea?
The InChIKey is MCRILYZXLMKAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-11(8(12)10-9)7-5-3-2-4-6-7/h7H,2-6,9H2,1H3,(H,10,12).
What are the key properties of 3-amino-1-cyclohexyl-1-methylthiourea?
3-amino-1-cyclohexyl-1-methylthiourea has a molecular weight of 187.31 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexyl-1-methylthiourea is sourced from PubChem (CID 19847526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).