N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

C16H24N2O3S2 — CID 70721211

IUPACN-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N2CCCCC2CCNC(C)=O)cc1
InChIInChI=1S/C16H24N2O3S2/c1-13(19)17-11-10-14-5-3-4-12-18(14)23(20,21)16-8-6-15(22-2)7-9-16/h6-9,14H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyGQPFGVXBZGJYLB-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.48
Rot. Bonds6

About N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (PubChem CID 70721211) has the molecular formula C16H24N2O3S2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
PubChem CID70721211
Molecular FormulaC16H24N2O3S2
Molecular Weight356.51 g/mol
Exact Mass356.12
IUPAC NameN-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N2CCCCC2CCNC(C)=O)cc1
InChIInChI=1S/C16H24N2O3S2/c1-13(19)17-11-10-14-5-3-4-12-18(14)23(20,21)16-8-6-15(22-2)7-9-16/h6-9,14H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyGQPFGVXBZGJYLB-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
N-[1-(2-Fluoro-benzenesulfonyl)-piperidin-4-yl]-2,2-dimethyl-propionamide
CID 652036
N-(9-Benzenesulfonyl-9-aza-bicyclo[3.3.1]non-3-yl)-acetamide
CID 656292
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
3-(Benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 6459212
N-cyclopropyl-1-{[4-(methylsulfanyl)phenyl]sulfonyl}piperidine-4-carboxamide
CID 6498937
Thiohexamide
CID 3083819
N1-cyclopentyl-N2-(2-(1-(phenylsulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 18574263
N1-cyclopropyl-N2-(2-(1-(phenylsulfonyl)piperidin-2-yl)ethyl)oxalamide
CID 18574300
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
N-(1-acetylpiperidin-4-yl)-4-fluorobenzenesulfonamide
CID 9926350

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (CID 70721211) is N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is CSc1ccc(S(=O)(=O)N2CCCCC2CCNC(C)=O)cc1.
What is the InChIKey of N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The InChIKey is GQPFGVXBZGJYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S2/c1-13(19)17-11-10-14-5-3-4-12-18(14)23(20,21)16-8-6-15(22-2)7-9-16/h6-9,14H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methylsulfanylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70721211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).