[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide

C16H22N2O2S2 — CID 166371195

IUPAC[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide
SMILESCc1c(CN2CCCCC2CS(N)(=O)=O)sc2ccccc12
InChIInChI=1S/C16H22N2O2S2/c1-12-14-7-2-3-8-15(14)21-16(12)10-18-9-5-4-6-13(18)11-22(17,19)20/h2-3,7-8,13H,4-6,9-11H2,1H3,(H2,17,19,20)
InChIKeyYOJHPEMCTIZQIH-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.85
Rot. Bonds4

About [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide

[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide (PubChem CID 166371195) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide
PubChem CID166371195
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC Name[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide
SMILESCc1c(CN2CCCCC2CS(N)(=O)=O)sc2ccccc12
InChIInChI=1S/C16H22N2O2S2/c1-12-14-7-2-3-8-15(14)21-16(12)10-18-9-5-4-6-13(18)11-22(17,19)20/h2-3,7-8,13H,4-6,9-11H2,1H3,(H2,17,19,20)
InChIKeyYOJHPEMCTIZQIH-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethylpiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 43266639
[2-(hydroxymethyl)piperidin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 43421254
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
[1-(2-benzyl-3-phenylpropyl)pyrrolidin-2-yl]methanesulfonamide
CID 154861670
[(2S)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanesulfonamide
CID 97012606
[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
CID 146121289
[(2S)-1-(2-phenylsulfanylethyl)pyrrolidin-2-yl]methanesulfonamide
CID 95629781
3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole
CID 730166
(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanamide
CID 98469782
1-[(3-bromothiophen-2-yl)methyl]-2-ethylazepane
CID 104691377
4-(2-methoxyphenyl)-1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidine
CID 2813359
2-methoxy-N-[3-[2-[(3-methyl-1-benzothiophen-2-yl)methyl]-2-azabicyclo[3.3.1]nonan-5-yl]phenyl]ethanesulfonamide
CID 91107850

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide?
The IUPAC name of [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide (CID 166371195) is [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide is Cc1c(CN2CCCCC2CS(N)(=O)=O)sc2ccccc12.
What is the InChIKey of [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide?
The InChIKey is YOJHPEMCTIZQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-12-14-7-2-3-8-15(14)21-16(12)10-18-9-5-4-6-13(18)11-22(17,19)20/h2-3,7-8,13H,4-6,9-11H2,1H3,(H2,17,19,20).
What are the key properties of [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide?
[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide has a molecular weight of 338.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-2-yl]methanesulfonamide is sourced from PubChem (CID 166371195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).