1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea

C15H24N2O2S — CID 111452874

IUPAC1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea
SMILESCSCC(CCO)NC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12-5-4-6-13(9-12)16-15(19)17-14(7-8-18)10-20-3/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H2,16,17,19)
InChIKeyQFUCOWDKKZMJCE-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.05
Rot. Bonds7

About 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea

1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea (PubChem CID 111452874) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea
PubChem CID111452874
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea
SMILESCSCC(CCO)NC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C15H24N2O2S/c1-11(2)12-5-4-6-13(9-12)16-15(19)17-14(7-8-18)10-20-3/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H2,16,17,19)
InChIKeyQFUCOWDKKZMJCE-UHFFFAOYSA-N
XLogP3.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(1-phenylethyl)urea
CID 111453829
1-(3,5-dichlorophenyl)-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111452609
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
1-[1-(3-fluorophenyl)propan-2-yl]-3-(4-hydroxy-1-methylsulfanylbutan-2-yl)urea
CID 111455614
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 61194996
4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 62480410
N-[(2S)-4-hydroxy-1-methylsulfanylbutan-2-yl]-2,6-dimethylbenzamide
CID 97328538
(2S)-2-amino-4-methylsulfanyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119269841

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea?
The IUPAC name of 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea (CID 111452874) is 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea is CSCC(CCO)NC(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea?
The InChIKey is QFUCOWDKKZMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)12-5-4-6-13(9-12)16-15(19)17-14(7-8-18)10-20-3/h4-6,9,11,14,18H,7-8,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea?
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea has a molecular weight of 296.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea is sourced from PubChem (CID 111452874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).