1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea

C14H27N3O4S — CID 51084116

IUPAC1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
SMILESCCN(CC1CCOC1)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H27N3O4S/c1-3-16(10-12-6-9-21-11-12)14(18)15-13-4-7-17(8-5-13)22(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyKVHBUVJJZNSXKJ-UHFFFAOYSA-N
MW333.45 g/mol
LogP0.48
Rot. Bonds5

About 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea

1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea (PubChem CID 51084116) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
PubChem CID51084116
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea
SMILESCCN(CC1CCOC1)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H27N3O4S/c1-3-16(10-12-6-9-21-11-12)14(18)15-13-4-7-17(8-5-13)22(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyKVHBUVJJZNSXKJ-UHFFFAOYSA-N
XLogP0.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea (CID 51084116) is 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea is CCN(CC1CCOC1)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea?
The InChIKey is KVHBUVJJZNSXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-3-16(10-12-6-9-21-11-12)14(18)15-13-4-7-17(8-5-13)22(2,19)20/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea?
1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea has a molecular weight of 333.45 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methylsulfonylpiperidin-4-yl)-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 51084116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).