N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide

C16H24N2O3S — CID 18582815

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)CCNC(=O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-13-10-14(2)12-18(11-13)22(20,21)9-8-17-16(19)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19)
InChIKeyYUCNQKXLDAOIBX-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.72
Rot. Bonds5

About N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide

N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide (PubChem CID 18582815) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide
PubChem CID18582815
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide
SMILESCC1CC(C)CN(S(=O)(=O)CCNC(=O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-13-10-14(2)12-18(11-13)22(20,21)9-8-17-16(19)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19)
InChIKeyYUCNQKXLDAOIBX-UHFFFAOYSA-N
XLogP1.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide (CID 18582815) is N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide is CC1CC(C)CN(S(=O)(=O)CCNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide?
The InChIKey is YUCNQKXLDAOIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-10-14(2)12-18(11-13)22(20,21)9-8-17-16(19)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide?
N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide has a molecular weight of 324.45 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 18582815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).