1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea

C14H23N3O3S2 — CID 51089243

IUPAC1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccs1
InChIInChI=1S/C14H23N3O3S2/c1-3-12(13-5-4-10-21-13)16-14(18)15-11-6-8-17(9-7-11)22(2,19)20/h4-5,10-12H,3,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyLWZIVWRQTWXPAP-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.92
Rot. Bonds5

About 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea

1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea (PubChem CID 51089243) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea
PubChem CID51089243
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccs1
InChIInChI=1S/C14H23N3O3S2/c1-3-12(13-5-4-10-21-13)16-14(18)15-11-6-8-17(9-7-11)22(2,19)20/h4-5,10-12H,3,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyLWZIVWRQTWXPAP-UHFFFAOYSA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea (CID 51089243) is 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea is CCC(NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccs1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea?
The InChIKey is LWZIVWRQTWXPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-3-12(13-5-4-10-21-13)16-14(18)15-11-6-8-17(9-7-11)22(2,19)20/h4-5,10-12H,3,6-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea?
1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea has a molecular weight of 345.49 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-4-yl)-3-(1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 51089243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).