N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide

C15H25N3O2S — CID 106630345

IUPACN-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H25N3O2S/c1-2-18(13-15-8-4-6-11-17-15)21(19,20)12-9-14-7-3-5-10-16-14/h3,5,7,10,15,17H,2,4,6,8-9,11-13H2,1H3
InChIKeyYJBMCDRJXQYROK-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds7

About N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide

N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 106630345) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID106630345
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
SMILESCCN(CC1CCCCN1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H25N3O2S/c1-2-18(13-15-8-4-6-11-17-15)21(19,20)12-9-14-7-3-5-10-16-14/h3,5,7,10,15,17H,2,4,6,8-9,11-13H2,1H3
InChIKeyYJBMCDRJXQYROK-UHFFFAOYSA-N
XLogP1.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106607621
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-ethyl-3-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608852
N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106616436
2-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608008
N,N-diethyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115040519
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
3,4-dichloro-N-ethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630300
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166240

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide (CID 106630345) is N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide is CCN(CC1CCCCN1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is YJBMCDRJXQYROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-18(13-15-8-4-6-11-17-15)21(19,20)12-9-14-7-3-5-10-16-14/h3,5,7,10,15,17H,2,4,6,8-9,11-13H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide?
N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 106630345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).