3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide

C18H26N2O4S — CID 4879627

IUPAC3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)C1
InChIInChI=1S/C18H26N2O4S/c1-14-5-3-9-20(13-14)25(22,23)17-8-2-6-15(11-17)18(21)19-12-16-7-4-10-24-16/h2,6,8,11,14,16H,3-5,7,9-10,12-13H2,1H3,(H,19,21)
InChIKeyPUUZTYITPAQEOY-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.02
Rot. Bonds5

About 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide

3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4879627) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4879627
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)C1
InChIInChI=1S/C18H26N2O4S/c1-14-5-3-9-20(13-14)25(22,23)17-8-2-6-15(11-17)18(21)19-12-16-7-4-10-24-16/h2,6,8,11,14,16H,3-5,7,9-10,12-13H2,1H3,(H,19,21)
InChIKeyPUUZTYITPAQEOY-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide (CID 4879627) is 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide is CC1CCCN(S(=O)(=O)c2cccc(C(=O)NCC3CCCO3)c2)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is PUUZTYITPAQEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-5-3-9-20(13-14)25(22,23)17-8-2-6-15(11-17)18(21)19-12-16-7-4-10-24-16/h2,6,8,11,14,16H,3-5,7,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide?
3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 366.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4879627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).