N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

C17H33N3O3S — CID 3243710

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCCCC2C)C1
InChIInChI=1S/C17H33N3O3S/c1-3-13-24(22,23)20-11-6-8-16(14-20)17(21)18-9-12-19-10-5-4-7-15(19)2/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyZSULKJWFWFQWJD-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.43
Rot. Bonds7

About N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3243710) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3243710
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCCCC2C)C1
InChIInChI=1S/C17H33N3O3S/c1-3-13-24(22,23)20-11-6-8-16(14-20)17(21)18-9-12-19-10-5-4-7-15(19)2/h15-16H,3-14H2,1-2H3,(H,18,21)
InChIKeyZSULKJWFWFQWJD-UHFFFAOYSA-N
XLogP1.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3243710) is N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCCCC2C)C1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZSULKJWFWFQWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-3-13-24(22,23)20-11-6-8-16(14-20)17(21)18-9-12-19-10-5-4-7-15(19)2/h15-16H,3-14H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3243710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).