1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C16H32N4O3S — CID 47765803

IUPAC1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CCCN(S(C)(=O)=O)C2)CC(C)(C)N1
InChIInChI=1S/C16H32N4O3S/c1-15(2)9-13(10-16(3,4)19-15)18-14(21)17-12-7-6-8-20(11-12)24(5,22)23/h12-13,19H,6-11H2,1-5H3,(H2,17,18,21)
InChIKeyUUGADJVYKDQXNC-UHFFFAOYSA-N
MW360.52 g/mol
LogP1.02
Rot. Bonds3

About 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 47765803) has the molecular formula C16H32N4O3S and a molecular weight of 360.52 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID47765803
Molecular FormulaC16H32N4O3S
Molecular Weight360.52 g/mol
Exact Mass360.22
IUPAC Name1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CCCN(S(C)(=O)=O)C2)CC(C)(C)N1
InChIInChI=1S/C16H32N4O3S/c1-15(2)9-13(10-16(3,4)19-15)18-14(21)17-12-7-6-8-20(11-12)24(5,22)23/h12-13,19H,6-11H2,1-5H3,(H2,17,18,21)
InChIKeyUUGADJVYKDQXNC-UHFFFAOYSA-N
XLogP1.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 47765803) is 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NC2CCCN(S(C)(=O)=O)C2)CC(C)(C)N1.
What is the InChIKey of 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is UUGADJVYKDQXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3S/c1-15(2)9-13(10-16(3,4)19-15)18-14(21)17-12-7-6-8-20(11-12)24(5,22)23/h12-13,19H,6-11H2,1-5H3,(H2,17,18,21).
What are the key properties of 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 360.52 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 47765803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).