1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea

C18H27N3O2S — CID 71978939

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea
SMILESCS(=O)c1cccc(NC(=O)NC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C18H27N3O2S/c1-24(23)17-8-4-5-15(13-17)20-18(22)19-14-9-11-21(12-10-14)16-6-2-3-7-16/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H2,19,20,22)
InChIKeyMBLNJRAACZYBNO-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.95
Rot. Bonds4

About 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea

1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea (PubChem CID 71978939) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea
PubChem CID71978939
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea
SMILESCS(=O)c1cccc(NC(=O)NC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C18H27N3O2S/c1-24(23)17-8-4-5-15(13-17)20-18(22)19-14-9-11-21(12-10-14)16-6-2-3-7-16/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H2,19,20,22)
InChIKeyMBLNJRAACZYBNO-UHFFFAOYSA-N
XLogP2.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2R)-2-methylsulfanylcyclohexyl]-3-[3-[(S)-methylsulfinyl]phenyl]urea
CID 97215586
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
methyl 3-[2-[3-[(1-cyclopropylpiperidin-4-yl)carbamoylamino]phenyl]ethynyl]benzoate
CID 47040492
1-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[3-[(R)-methylsulfinyl]phenyl]urea
CID 97054229
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 86988645
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
1-(3-tert-butylphenyl)-3-cyclopentylurea
CID 58646048
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea (CID 71978939) is 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea is CS(=O)c1cccc(NC(=O)NC2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea?
The InChIKey is MBLNJRAACZYBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-24(23)17-8-4-5-15(13-17)20-18(22)19-14-9-11-21(12-10-14)16-6-2-3-7-16/h4-5,8,13-14,16H,2-3,6-7,9-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea?
1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea has a molecular weight of 349.50 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-(3-methylsulfinylphenyl)urea is sourced from PubChem (CID 71978939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).