1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea

C12H24N2O2S — CID 115698103

IUPAC1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
SMILESCC(CCS(C)=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(8-9-17(2)16)13-12(15)14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyWTBWPEUUPSKMIX-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.78
Rot. Bonds5

About 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea

1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea (PubChem CID 115698103) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
PubChem CID115698103
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
SMILESCC(CCS(C)=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(8-9-17(2)16)13-12(15)14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15)
InChIKeyWTBWPEUUPSKMIX-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(2S)-1-fluoropropan-2-yl]urea
CID 127009415
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
2-amino-N-(4-methylsulfinylbutan-2-yl)cyclohexane-1-carboxamide
CID 113493513
1-(4-aminobutan-2-yl)-3-cyclopropylurea
CID 62698349
1-cyclohexyl-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 79255042
1-(4-aminopentan-2-yl)-3-cyclobutylurea
CID 116658905
1-cyclohexyl-3-(1-methylsulfinylpropan-2-yl)thiourea
CID 116510187
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea (CID 115698103) is 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea is CC(CCS(C)=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea?
The InChIKey is WTBWPEUUPSKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(8-9-17(2)16)13-12(15)14-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea?
1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea has a molecular weight of 260.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea is sourced from PubChem (CID 115698103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).