1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea

C11H23N3O3S — CID 47149943

IUPAC1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H23N3O3S/c1-3-7-12-11(15)13-10-5-8-14(9-6-10)18(16,17)4-2/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyQQMKDZMKQSRBDJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.51
Rot. Bonds5

About 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea

1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea (PubChem CID 47149943) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea
PubChem CID47149943
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea
SMILESCCCNC(=O)NC1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C11H23N3O3S/c1-3-7-12-11(15)13-10-5-8-14(9-6-10)18(16,17)4-2/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyQQMKDZMKQSRBDJ-UHFFFAOYSA-N
XLogP0.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea?
The IUPAC name of 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea (CID 47149943) is 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea.
What is the SMILES notation for 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea?
The canonical SMILES for 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea is CCCNC(=O)NC1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea?
The InChIKey is QQMKDZMKQSRBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-3-7-12-11(15)13-10-5-8-14(9-6-10)18(16,17)4-2/h10H,3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea?
1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea has a molecular weight of 277.39 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonylpiperidin-4-yl)-3-propylurea is sourced from PubChem (CID 47149943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).