1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea

C11H22N2OS — CID 7941517

IUPAC1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@H](C)NC(=S)NC1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-9(8-14-2)12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)/t9-/m0/s1
InChIKeyRJAQBZAFAYOANK-VIFPVBQESA-N
MW230.38 g/mol
LogP1.82
Rot. Bonds4

About 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea

1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea (PubChem CID 7941517) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea
PubChem CID7941517
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@H](C)NC(=S)NC1CCCCC1
InChIInChI=1S/C11H22N2OS/c1-9(8-14-2)12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)/t9-/m0/s1
InChIKeyRJAQBZAFAYOANK-VIFPVBQESA-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'}

Analyze 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Cyclohexyl-N'-(2-hydroxyethyl)thiourea
CID 2179781
(Cyclohexylamino)morpholin-4-ylmethane-1-thione
CID 697089
1-Cyclohexyl-3-(3-methoxypropyl)thiourea
CID 2171139
1-(2-Methoxyethyl)-3-(1-propylpiperidin-4-yl)thiourea
CID 2169113
1-Cyclohexyl-3-[2-(2,2-difluoroethoxy)ethyl]thiourea
CID 103090718
1-Cyclohexyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]thiourea
CID 115578263
1-(1-Methoxypropan-2-yl)-3-(5,5,5-trifluoropentyl)thiourea
CID 115760820
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-[(2S)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea (CID 7941517) is 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea is COC[C@H](C)NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea?
The InChIKey is RJAQBZAFAYOANK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(8-14-2)12-11(15)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,15)/t9-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]thiourea?
1-cyclohexyl-3-[(2S)-1-methoxypropan-2-yl]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-[(2S)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 7941517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).