1-cyclohexyl-3-(2-methoxypropyl)thiourea

C11H22N2OS — CID 102697389

IUPAC1-cyclohexyl-3-(2-methoxypropyl)thiourea
SMILESCOC(C)CNC(=S)NC1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-9(14-2)8-12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyXVCGAGICGICLEF-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.82
Rot. Bonds4

About 1-cyclohexyl-3-(2-methoxypropyl)thiourea

1-cyclohexyl-3-(2-methoxypropyl)thiourea (PubChem CID 102697389) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methoxypropyl)thiourea
PubChem CID102697389
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-cyclohexyl-3-(2-methoxypropyl)thiourea
SMILESCOC(C)CNC(=S)NC1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-9(14-2)8-12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeyXVCGAGICGICLEF-UHFFFAOYSA-N
XLogP1.82
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Cyclohexyl-N'-(2-hydroxyethyl)thiourea
CID 2179781
(Cyclohexylamino)[(oxolan-2-ylmethyl)amino]methane-1-thione
CID 2788327
1-Cyclohexyl-3-(3-methoxypropyl)thiourea
CID 2171139
N-cyclopentyl-2,6-dimethylmorpholine-4-carbothioamide
CID 19654295
1-Cyclohexyl-3-[2-(2,2-difluoroethoxy)ethyl]thiourea
CID 103090718
1-Cyclohexyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]thiourea
CID 115578263
N-cyclohexyl-N-ethyl-N'-(tetrahydro-2-furanylmethyl)thiourea
CID 2938634
N-cyclohexyl-2,6-dimethylmorpholine-4-carbothioamide
CID 2957524
1-Cyclohexyl-3-(2,2-dimethoxyethyl)thiourea
CID 3831296
1-Cyclohexyl-3-(2-methoxyethyl)thiourea
CID 3923011
(Decylamino)[(2-methoxyethyl)amino]methane-1-thione
CID 4547753
3-Cyclohexyl-1-(2-methoxyethyl)-1-nitrosothiourea
CID 13084951

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methoxypropyl)thiourea?
The IUPAC name of 1-cyclohexyl-3-(2-methoxypropyl)thiourea (CID 102697389) is 1-cyclohexyl-3-(2-methoxypropyl)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(2-methoxypropyl)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(2-methoxypropyl)thiourea is COC(C)CNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-methoxypropyl)thiourea?
The InChIKey is XVCGAGICGICLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(14-2)8-12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclohexyl-3-(2-methoxypropyl)thiourea?
1-cyclohexyl-3-(2-methoxypropyl)thiourea has a molecular weight of 230.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methoxypropyl)thiourea is sourced from PubChem (CID 102697389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).