3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea

C15H30N2S — CID 724237

IUPAC3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea
SMILESCC(C)CN(CC(C)C)C(=S)NC1CCCCC1
InChIInChI=1S/C15H30N2S/c1-12(2)10-17(11-13(3)4)15(18)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H,16,18)
InChIKeyRQQYMIYZTDXXRP-UHFFFAOYSA-N
MW270.49 g/mol
LogP3.81
Rot. Bonds5

About 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea

3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea (PubChem CID 724237) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea.

Molecular Properties

Compound Name3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea
PubChem CID724237
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea
SMILESCC(C)CN(CC(C)C)C(=S)NC1CCCCC1
InChIInChI=1S/C15H30N2S/c1-12(2)10-17(11-13(3)4)15(18)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H,16,18)
InChIKeyRQQYMIYZTDXXRP-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dicyclohexylthiourea
CID 727200
N-cyclohexylpiperidine-1-carbothioamide
CID 2725476
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]thiourea
CID 2207101
1-Cyclohexyl-3-methylthiourea
CID 2725495
1-Cyclopentyl-3-(2-methylpropyl)thiourea
CID 899493
N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 3973700
N-cyclohexyl-4-methylpiperidine-1-carbothioamide
CID 724235
(Cyclohexylamino)(2-ethylpiperidyl)methane-1-thione
CID 4534164
Dimethylzyklohexylthioharnstoff
CID 708395
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
N-cyclohexylpyrrolidine-1-carbothioamide
CID 797677
1-Cyclohexyl-1,3-diazinane-2-thione
CID 2806812

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea?
The IUPAC name of 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea (CID 724237) is 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea.
What is the SMILES notation for 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea?
The canonical SMILES for 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea is CC(C)CN(CC(C)C)C(=S)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea?
The InChIKey is RQQYMIYZTDXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-12(2)10-17(11-13(3)4)15(18)16-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea?
3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea has a molecular weight of 270.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-bis(2-methylpropyl)thiourea is sourced from PubChem (CID 724237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).