N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide

C13H21N3O2S — CID 110107181

IUPACN-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C13H21N3O2S/c1-3-19(17,18)15(2)12-7-6-10-16(11-12)13-8-4-5-9-14-13/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyDWBLIFAXAZGZQT-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.33
Rot. Bonds4

About N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide

N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide (PubChem CID 110107181) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
PubChem CID110107181
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1CCCN(c2ccccn2)C1
InChIInChI=1S/C13H21N3O2S/c1-3-19(17,18)15(2)12-7-6-10-16(11-12)13-8-4-5-9-14-13/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3
InChIKeyDWBLIFAXAZGZQT-UHFFFAOYSA-N
XLogP1.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
(3S)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-3-amine
CID 124975782
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 124997613
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylpiperidin-3-amine
CID 110107200
3-ethyl-N,5-dimethyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 125005100
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 125000459

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide (CID 110107181) is N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide is CCS(=O)(=O)N(C)C1CCCN(c2ccccn2)C1.
What is the InChIKey of N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide?
The InChIKey is DWBLIFAXAZGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-19(17,18)15(2)12-7-6-10-16(11-12)13-8-4-5-9-14-13/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide?
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 110107181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).