1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C17H25N3O3S — CID 47765775

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCS(=O)(=O)N1CCCC(NC(=O)NC2CCCc3ccccc32)C1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20-11-5-8-14(12-20)18-17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-3,6,9,14,16H,4-5,7-8,10-12H2,1H3,(H2,18,19,21)
InChIKeyXNNCHRQHXDCQHH-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.79
Rot. Bonds3

About 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 47765775) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID47765775
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCS(=O)(=O)N1CCCC(NC(=O)NC2CCCc3ccccc32)C1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20-11-5-8-14(12-20)18-17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-3,6,9,14,16H,4-5,7-8,10-12H2,1H3,(H2,18,19,21)
InChIKeyXNNCHRQHXDCQHH-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 95197444
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94030270
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137
1-[2-(methanesulfonamido)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 134006236
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
1-methylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 8777525
1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 51240613
1-[2-(2-methylphenyl)ethyl]-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47743658

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 47765775) is 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CS(=O)(=O)N1CCCC(NC(=O)NC2CCCc3ccccc32)C1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is XNNCHRQHXDCQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-24(22,23)20-11-5-8-14(12-20)18-17(21)19-16-10-4-7-13-6-2-3-9-15(13)16/h2-3,6,9,14,16H,4-5,7-8,10-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 351.47 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 47765775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).