N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide

C14H23N3O2S — CID 82742611

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C14H23N3O2S/c1-2-13-6-4-8-16-14(13)10-17-20(18,19)11-12-5-3-7-15-9-12/h4,6,8,12,15,17H,2-3,5,7,9-11H2,1H3
InChIKeyUHUQMETUHKVOLT-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.06
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide

N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide (PubChem CID 82742611) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
PubChem CID82742611
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide
SMILESCCc1cccnc1CNS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C14H23N3O2S/c1-2-13-6-4-8-16-14(13)10-17-20(18,19)11-12-5-3-7-15-9-12/h4,6,8,12,15,17H,2-3,5,7,9-11H2,1H3
InChIKeyUHUQMETUHKVOLT-UHFFFAOYSA-N
XLogP1.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 106303568
N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82873939
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603
N-[(3-ethyl-2-pyridinyl)methyl]piperazine-1-sulfonamide
CID 82739369
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 55173705
N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 82737570
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 116787354
N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanesulfonamide;hydrochloride
CID 71637453
3-(3-ethyl-2-pyridinyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 82730556
N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
CID 97166084

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide (CID 82742611) is N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide is CCc1cccnc1CNS(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is UHUQMETUHKVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-13-6-4-8-16-14(13)10-17-20(18,19)11-12-5-3-7-15-9-12/h4,6,8,12,15,17H,2-3,5,7,9-11H2,1H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide?
N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 82742611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).