1-(2-methylsulfanylphenyl)-3-propan-2-ylurea

C11H16N2OS — CID 23548353

IUPAC1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
SMILESCSc1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C11H16N2OS/c1-8(2)12-11(14)13-9-6-4-5-7-10(9)15-3/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyTZRPMTLEKZMFRE-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea

1-(2-methylsulfanylphenyl)-3-propan-2-ylurea (PubChem CID 23548353) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
PubChem CID23548353
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
SMILESCSc1ccccc1NC(=O)NC(C)C
InChIInChI=1S/C11H16N2OS/c1-8(2)12-11(14)13-9-6-4-5-7-10(9)15-3/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyTZRPMTLEKZMFRE-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptan-4-yl-3-(2-methylsulfanylphenyl)urea
CID 58607472
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
(2S)-3-hydroxy-2-[(2-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 107642413
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(6-hydroxy-6-methylheptan-2-yl)-3-(2-methylsulfanylphenyl)urea
CID 72892776
(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide
CID 94652235
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
2-[(2-methylsulfanylphenyl)carbamoylamino]pentanedioic acid
CID 107642342
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-propan-2-yl-3-(2-sulfamoylphenyl)urea
CID 61131721

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea (CID 23548353) is 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea is CSc1ccccc1NC(=O)NC(C)C.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea?
The InChIKey is TZRPMTLEKZMFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(2)12-11(14)13-9-6-4-5-7-10(9)15-3/h4-8H,1-3H3,(H2,12,13,14).
What are the key properties of 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea?
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea has a molecular weight of 224.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 23548353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).