1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine

C16H20ClNO2S2 — CID 58906119

IUPAC1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine
SMILESCCC1CCN(S(=O)(=O)c2sc3ccc(Cl)cc3c2C)CC1
InChIInChI=1S/C16H20ClNO2S2/c1-3-12-6-8-18(9-7-12)22(19,20)16-11(2)14-10-13(17)4-5-15(14)21-16/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyYDPXIFOEEJWJRN-UHFFFAOYSA-N
MW357.93 g/mol
LogP4.67
Rot. Bonds3

About 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine

1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine (PubChem CID 58906119) has the molecular formula C16H20ClNO2S2 and a molecular weight of 357.93 g/mol. Its IUPAC name is 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine.

Molecular Properties

Compound Name1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine
PubChem CID58906119
Molecular FormulaC16H20ClNO2S2
Molecular Weight357.93 g/mol
Exact Mass357.06
IUPAC Name1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine
SMILESCCC1CCN(S(=O)(=O)c2sc3ccc(Cl)cc3c2C)CC1
InChIInChI=1S/C16H20ClNO2S2/c1-3-12-6-8-18(9-7-12)22(19,20)16-11(2)14-10-13(17)4-5-15(14)21-16/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyYDPXIFOEEJWJRN-UHFFFAOYSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(chloromethylsulfonyl)-3-methyl-1-benzothiophene
CID 11266391
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743
1-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperidin-4-yl]-6,6,7,7-tetrafluoro-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-1-ium-2-one
CID 87879470
5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 71151795
(2S)-2-[[3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1,3-thiazolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 57479438
8-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine
CID 25056300
1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-7-(4-methylpiperazin-1-yl)-2,3-dihydroquinolin-4-one
CID 53325266
5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
CID 2824261
5-chloro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
CID 58713277
5-chloro-3-methyl-N-(3-methylbut-3-enyl)-1-benzothiophene-2-sulfonamide
CID 89104378
1-[3-chloro-4-(chloromethyl)phenyl]sulfonyl-4-ethylpiperidine
CID 107091042
N-(2-bromobutyl)-5-chloro-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
CID 58713396

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine?
The IUPAC name of 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine (CID 58906119) is 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine.
What is the SMILES notation for 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine?
The canonical SMILES for 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine is CCC1CCN(S(=O)(=O)c2sc3ccc(Cl)cc3c2C)CC1.
What is the InChIKey of 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine?
The InChIKey is YDPXIFOEEJWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S2/c1-3-12-6-8-18(9-7-12)22(19,20)16-11(2)14-10-13(17)4-5-15(14)21-16/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine?
1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine has a molecular weight of 357.93 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-ethylpiperidine is sourced from PubChem (CID 58906119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).