2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide

C18H26N2O4S — CID 4153012

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C18H26N2O4S/c1-14-7-8-16(25(22,23)20-9-3-2-4-10-20)12-17(14)18(21)19-13-15-6-5-11-24-15/h7-8,12,15H,2-6,9-11,13H2,1H3,(H,19,21)
InChIKeyPGWDSGOXSPXOLK-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.08
Rot. Bonds5

About 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 4153012) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID4153012
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CCCO1
InChIInChI=1S/C18H26N2O4S/c1-14-7-8-16(25(22,23)20-9-3-2-4-10-20)12-17(14)18(21)19-13-15-6-5-11-24-15/h7-8,12,15H,2-6,9-11,13H2,1H3,(H,19,21)
InChIKeyPGWDSGOXSPXOLK-UHFFFAOYSA-N
XLogP2.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide (CID 4153012) is 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PGWDSGOXSPXOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-7-8-16(25(22,23)20-9-3-2-4-10-20)12-17(14)18(21)19-13-15-6-5-11-24-15/h7-8,12,15H,2-6,9-11,13H2,1H3,(H,19,21).
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 366.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4153012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).