1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea

C12H25N3O4S — CID 51084114

IUPAC1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCOCC(C)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O4S/c1-10(9-19-3)14(2)12(16)13-11-5-7-15(8-6-11)20(4,17)18/h10-11H,5-9H2,1-4H3,(H,13,16)
InChIKeyDUEHHLUCHNCZQC-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.09
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea

1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 51084114) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID51084114
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Name1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCOCC(C)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H25N3O4S/c1-10(9-19-3)14(2)12(16)13-11-5-7-15(8-6-11)20(4,17)18/h10-11H,5-9H2,1-4H3,(H,13,16)
InChIKeyDUEHHLUCHNCZQC-UHFFFAOYSA-N
XLogP0.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea (CID 51084114) is 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea is COCC(C)N(C)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is DUEHHLUCHNCZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-10(9-19-3)14(2)12(16)13-11-5-7-15(8-6-11)20(4,17)18/h10-11H,5-9H2,1-4H3,(H,13,16).
What are the key properties of 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea?
1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 307.42 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-1-methyl-3-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 51084114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).