1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea

C8H18N2O2S — CID 111435312

IUPAC1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NC(C)CO
InChIInChI=1S/C8H18N2O2S/c1-6(4-11)9-8(12)10-7(2)5-13-3/h6-7,11H,4-5H2,1-3H3,(H2,9,10,12)
InChIKeyWAUPXIGKBHVKLF-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.42
Rot. Bonds5

About 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea

1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea (PubChem CID 111435312) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
PubChem CID111435312
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
SMILESCSCC(C)NC(=O)NC(C)CO
InChIInChI=1S/C8H18N2O2S/c1-6(4-11)9-8(12)10-7(2)5-13-3/h6-7,11H,4-5H2,1-3H3,(H2,9,10,12)
InChIKeyWAUPXIGKBHVKLF-UHFFFAOYSA-N
XLogP0.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 75517861
1-tert-butyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115693458
1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 124886093
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 115734652
1-(2-hydroxy-2,5-dimethylhexyl)-3-(1-methylsulfanylpropan-2-yl)urea
CID 111455658
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
1-(1-hydroxypropan-2-yl)-3-[4-(methylsulfanylmethyl)phenyl]urea
CID 110929129
1-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]-3-[(2S)-1-methylsulfanylpropan-2-yl]urea
CID 97326673
1-[2-(hydroxymethyl)cyclohexyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 71980784
N-(1-methylsulfanylpropan-2-yl)but-2-ynamide
CID 131160069

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea (CID 111435312) is 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea is CSCC(C)NC(=O)NC(C)CO.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea?
The InChIKey is WAUPXIGKBHVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-6(4-11)9-8(12)10-7(2)5-13-3/h6-7,11H,4-5H2,1-3H3,(H2,9,10,12).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea?
1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea has a molecular weight of 206.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea is sourced from PubChem (CID 111435312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).