1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea

C11H24N2O2S — CID 75383629

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NC(CO)CC(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)5-10(6-14)13-11(15)12-9(3)7-16-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyCFVGJXPGQQZZOW-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.44
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea

1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea (PubChem CID 75383629) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
PubChem CID75383629
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NC(CO)CC(C)C
InChIInChI=1S/C11H24N2O2S/c1-8(2)5-10(6-14)13-11(15)12-9(3)7-16-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13,15)
InChIKeyCFVGJXPGQQZZOW-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea (CID 75383629) is 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea is CSCC(C)NC(=O)NC(CO)CC(C)C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea?
The InChIKey is CFVGJXPGQQZZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-8(2)5-10(6-14)13-11(15)12-9(3)7-16-4/h8-10,14H,5-7H2,1-4H3,(H2,12,13,15).
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea?
1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea has a molecular weight of 248.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea is sourced from PubChem (CID 75383629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).