1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine

C12H19NO2S2 — CID 110755253

IUPAC1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C12H19NO2S2/c1-3-11-4-5-12(16-11)17(14,15)13-8-6-10(2)7-9-13/h4-5,10H,3,6-9H2,1-2H3
InChIKeyVNLSGKWUYQKWDX-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.73
Rot. Bonds3

About 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine

1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine (PubChem CID 110755253) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
PubChem CID110755253
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Name1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
SMILESCCc1ccc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C12H19NO2S2/c1-3-11-4-5-12(16-11)17(14,15)13-8-6-10(2)7-9-13/h4-5,10H,3,6-9H2,1-2H3
InChIKeyVNLSGKWUYQKWDX-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
4-chloro-1-(5-ethylthiophen-2-yl)sulfonyl-3-methylpiperidine
CID 114683624
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198
1-(5-ethylthiophen-2-yl)sulfonyl-4-(2-methylpropylsulfonyl)piperidine
CID 90590289
1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110708849
2-[5-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]acetic acid
CID 63624288
(3S,4S)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135091674
(3S,4R)-1-(5-ethylthiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid
CID 135090321
3-(5-ethylthiophen-2-yl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989567
N-cyclopropyl-1-(5-ethylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113002574
1-(5-ethylthiophen-2-yl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589870

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine (CID 110755253) is 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine is CCc1ccc(S(=O)(=O)N2CCC(C)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine?
The InChIKey is VNLSGKWUYQKWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-3-11-4-5-12(16-11)17(14,15)13-8-6-10(2)7-9-13/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine?
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine has a molecular weight of 273.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 110755253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).