N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide

C15H23N3O3S2 — CID 51128893

IUPACN-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCCSc1cc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C15H23N3O3S2/c1-4-22-14-11-12(5-8-16-14)15(19)18-9-6-13(7-10-18)17(2)23(3,20)21/h5,8,11,13H,4,6-7,9-10H2,1-3H3
InChIKeyFOUWSUCKFBCZNU-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.69
Rot. Bonds5

About N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 51128893) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID51128893
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCCSc1cc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C15H23N3O3S2/c1-4-22-14-11-12(5-8-16-14)15(19)18-9-6-13(7-10-18)17(2)23(3,20)21/h5,8,11,13H,4,6-7,9-10H2,1-3H3
InChIKeyFOUWSUCKFBCZNU-UHFFFAOYSA-N
XLogP1.69
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734210
(2-ethylsulfanyl-4-pyridinyl)-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 55996701
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-ethylsulfanyl-4-pyridinyl)methanone
CID 55996214
(2-tert-butylsulfanyl-4-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110008861
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734174
N-methyl-N-[1-(2,3,4,5-tetrahydro-1H-3-benzazepine-7-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 119046128
N-[[4-(4-aminopiperidine-1-carbonyl)-2-pyridinyl]methyl]methanesulfonamide
CID 112531128
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide (CID 51128893) is N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide is CCSc1cc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)ccn1.
What is the InChIKey of N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is FOUWSUCKFBCZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-4-22-14-11-12(5-8-16-14)15(19)18-9-6-13(7-10-18)17(2)23(3,20)21/h5,8,11,13H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 357.50 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 51128893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).