1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea

C11H16N2O2S — CID 108886544

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
SMILESCC(C)(CO)NC(=O)Nc1ccccc1S
InChIInChI=1S/C11H16N2O2S/c1-11(2,7-14)13-10(15)12-8-5-3-4-6-9(8)16/h3-6,14,16H,7H2,1-2H3,(H2,12,13,15)
InChIKeyMSKXFRIBLSQYCM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.87
Rot. Bonds3

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea (PubChem CID 108886544) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
PubChem CID108886544
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
SMILESCC(C)(CO)NC(=O)Nc1ccccc1S
InChIInChI=1S/C11H16N2O2S/c1-11(2,7-14)13-10(15)12-8-5-3-4-6-9(8)16/h3-6,14,16H,7H2,1-2H3,(H2,12,13,15)
InChIKeyMSKXFRIBLSQYCM-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 110901135
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
1-(4-hydroxy-2-methylbutan-2-yl)-3-(2-methylsulfanylphenyl)urea
CID 111925837
1-butan-2-yl-3-(2-sulfanylphenyl)urea
CID 108886298
1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60781787
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894507
1-(5-chloro-2-ethylsulfanylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976923
1-(2,2-dimethoxyethyl)-3-(2-sulfanylphenyl)urea
CID 108886467
N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 45000720
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
1-(5-bromofuran-2-yl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108873091
2-oxo-N-(2-sulfanylphenyl)acetamide
CID 173253850

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea (CID 108886544) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea is CC(C)(CO)NC(=O)Nc1ccccc1S.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea?
The InChIKey is MSKXFRIBLSQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,7-14)13-10(15)12-8-5-3-4-6-9(8)16/h3-6,14,16H,7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea has a molecular weight of 240.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea is sourced from PubChem (CID 108886544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).