N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide

C15H25N3O2S — CID 60891329

IUPACN-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide
SMILESCCCN(C1CCCNC1)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C15H25N3O2S/c1-2-11-18(15-4-3-8-17-13-15)21(19,20)12-7-14-5-9-16-10-6-14/h5-6,9-10,15,17H,2-4,7-8,11-13H2,1H3
InChIKeyYJVBPAWZAXEDCB-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds7

About N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide

N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide (PubChem CID 60891329) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide
PubChem CID60891329
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide
SMILESCCCN(C1CCCNC1)S(=O)(=O)CCc1ccncc1
InChIInChI=1S/C15H25N3O2S/c1-2-11-18(15-4-3-8-17-13-15)21(19,20)12-7-14-5-9-16-10-6-14/h5-6,9-10,15,17H,2-4,7-8,11-13H2,1H3
InChIKeyYJVBPAWZAXEDCB-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-piperidin-3-yl-N-propylethanesulfonamide
CID 60806396
N-ethyl-N-piperidin-4-yl-2-pyridin-4-ylethanesulfonamide
CID 60890944
N-ethyl-N-(piperidin-3-ylmethyl)-2-pyridin-4-ylethanesulfonamide
CID 106631087
N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide
CID 102873306
N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide
CID 80668910
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
N-piperidin-3-yl-N-propylprop-2-ene-1-sulfonamide
CID 79673907
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
3-[cyclopropyl(2-pyridin-4-ylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 76911647
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 61142839

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide (CID 60891329) is N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide is CCCN(C1CCCNC1)S(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide?
The InChIKey is YJVBPAWZAXEDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-11-18(15-4-3-8-17-13-15)21(19,20)12-7-14-5-9-16-10-6-14/h5-6,9-10,15,17H,2-4,7-8,11-13H2,1H3.
What are the key properties of N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide?
N-piperidin-3-yl-N-propyl-2-pyridin-4-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-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 60891329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).