1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea

C13H26N2O2S — CID 95984540

IUPAC1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
SMILESCSCC[C@@](C)(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-13(17,8-9-18-2)10-14-12(16)15-11-6-4-3-5-7-11/h11,17H,3-10H2,1-2H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyKZHPVSIZGJFSFQ-CYBMUJFWSA-N
MW274.43 g/mol
LogP2.12
Rot. Bonds6

About 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea

1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea (PubChem CID 95984540) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
PubChem CID95984540
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea
SMILESCSCC[C@@](C)(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2S/c1-13(17,8-9-18-2)10-14-12(16)15-11-6-4-3-5-7-11/h11,17H,3-10H2,1-2H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyKZHPVSIZGJFSFQ-CYBMUJFWSA-N
XLogP2.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea with MolForge

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Related Compounds

1-Cyclohexyl-3-(2-hydroxy-2-methyl-3-(methylthio)propyl)urea
CID 71787244
1-Cyclohexyl-3-(2-hydroxy-2-methyl-4-(methylthio)butyl)urea
CID 71787405
1-(2-Hydroxy-2-methyl-3-methylsulfanylpropyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 111438092
1-Ethyl-3-(2-hydroxy-2-methyl-4-(methylthio)butyl)urea
CID 71787402
(S)-1-(3-cyclohexylureido)-2-methyl-3-(methylthio)-2-propanol
CID 95984229
1-Cyclohexyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 47481075
1-Cyclohexyl-3-(2-hydroxy-2-methylbutyl)urea
CID 63374141
1-(3-Ethylsulfanylcyclopentyl)-3-(2-hydroxy-2-methylpropyl)urea
CID 71867602
1-(3-Ethylcyclohexyl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71925070
1-(3-Ethylsulfanylcyclohexyl)-3-(1-hydroxybutan-2-yl)urea
CID 71978862
1-(2-Hydroxy-2-methylpropyl)-3-(2-methylsulfanylcyclopentyl)urea
CID 71985619
1-Butyl-3-[(4-hydroxythian-4-yl)methyl]urea
CID 72006030

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea (CID 95984540) is 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea is CSCC[C@@](C)(O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea?
The InChIKey is KZHPVSIZGJFSFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(17,8-9-18-2)10-14-12(16)15-11-6-4-3-5-7-11/h11,17H,3-10H2,1-2H3,(H2,14,15,16)/t13-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea?
1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea has a molecular weight of 274.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]urea is sourced from PubChem (CID 95984540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).