4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine

C16H28N4O3S — CID 9193605

IUPAC4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(CN2CCC(C)CC2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H28N4O3S/c1-13-4-6-18(7-5-13)12-20-15(3)16(14(2)17-20)24(21,22)19-8-10-23-11-9-19/h13H,4-12H2,1-3H3
InChIKeyHHQQDWIVDCAJBL-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.21
Rot. Bonds4

About 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine

4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine (PubChem CID 9193605) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine
PubChem CID9193605
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine
SMILESCc1nn(CN2CCC(C)CC2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H28N4O3S/c1-13-4-6-18(7-5-13)12-20-15(3)16(14(2)17-20)24(21,22)19-8-10-23-11-9-19/h13H,4-12H2,1-3H3
InChIKeyHHQQDWIVDCAJBL-UHFFFAOYSA-N
XLogP1.21
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine (CID 9193605) is 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine is Cc1nn(CN2CCC(C)CC2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine?
The InChIKey is HHQQDWIVDCAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-13-4-6-18(7-5-13)12-20-15(3)16(14(2)17-20)24(21,22)19-8-10-23-11-9-19/h13H,4-12H2,1-3H3.
What are the key properties of 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine?
4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine has a molecular weight of 356.49 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-1-[(4-methylpiperidin-1-yl)methyl]pyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 9193605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).