N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide

C15H25N3O2S — CID 106631087

IUPACN-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C15H25N3O2S/c1-2-18(13-15-4-3-8-17-12-15)21(19,20)11-7-14-5-9-16-10-6-14/h5-6,9-10,15,17H,2-4,7-8,11-13H2,1H3
InChIKeyRUFXESJDJBQQRN-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.28
Rot. Bonds7

About N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide

N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 106631087) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID106631087
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
SMILESCCN(CC1CCCNC1)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C15H25N3O2S/c1-2-18(13-15-4-3-8-17-12-15)21(19,20)11-7-14-5-9-16-10-6-14/h5-6,9-10,15,17H,2-4,7-8,11-13H2,1H3
InChIKeyRUFXESJDJBQQRN-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide
CID 60891329
N-ethyl-N-piperidin-4-yl-2-pyridin-4-ylethanesulfonamide
CID 60890944
N-ethyl-N-(piperidin-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 106631158
4-(piperidin-3-ylmethylsulfonylmethyl)pyridine;hydrochloride
CID 71645755
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 106631091
N-(piperidin-3-ylmethyl)-N-propylbutane-1-sulfonamide
CID 106631296
2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
CID 54900131
N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643619
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 61142839
N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
CID 106631107
4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166366
4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
CID 71646160

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide (CID 106631087) is N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide is CCN(CC1CCCNC1)S(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is RUFXESJDJBQQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-18(13-15-4-3-8-17-12-15)21(19,20)11-7-14-5-9-16-10-6-14/h5-6,9-10,15,17H,2-4,7-8,11-13H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide?
N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.28, 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-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 106631087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).