1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide

C15H18N2O3S2 — CID 138995427

IUPAC1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)Cc2csc3ccccc23)C1
InChIInChI=1S/C15H18N2O3S2/c16-22(19,20)12-4-3-7-17(9-12)15(18)8-11-10-21-14-6-2-1-5-13(11)14/h1-2,5-6,10,12H,3-4,7-9H2,(H2,16,19,20)
InChIKeySEBNNZYJMBGNTI-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.72
Rot. Bonds3

About 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide

1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide (PubChem CID 138995427) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide
PubChem CID138995427
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)Cc2csc3ccccc23)C1
InChIInChI=1S/C15H18N2O3S2/c16-22(19,20)12-4-3-7-17(9-12)15(18)8-11-10-21-14-6-2-1-5-13(11)14/h1-2,5-6,10,12H,3-4,7-9H2,(H2,16,19,20)
InChIKeySEBNNZYJMBGNTI-UHFFFAOYSA-N
XLogP1.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-benzothiophen-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 85178324
(2S)-1-[2-(1-benzothiophen-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 10541446
1-(2-phenylsulfanylacetyl)piperidine-3-sulfonamide
CID 79001409
1-[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-(1-benzothiophen-3-yl)ethanone
CID 124830985
4-(1-benzothiophen-3-yl)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119492353
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(1-benzothiophen-3-yl)butan-1-one
CID 119412480
1-[4-[(2S,4S)-4-aminooxan-2-yl]piperidin-1-yl]-2-(1-benzothiophen-3-yl)ethanone
CID 129347257
3-[1-[2-(1-benzothiophen-3-yl)acetyl]piperidin-4-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137159068
(3R)-1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-sulfonamide
CID 95905379
(3R)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-sulfonamide
CID 97218661
1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
CID 154738536
2-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]acetic acid
CID 63738099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide?
The IUPAC name of 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide (CID 138995427) is 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(C(=O)Cc2csc3ccccc23)C1.
What is the InChIKey of 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide?
The InChIKey is SEBNNZYJMBGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c16-22(19,20)12-4-3-7-17(9-12)15(18)8-11-10-21-14-6-2-1-5-13(11)14/h1-2,5-6,10,12H,3-4,7-9H2,(H2,16,19,20).
What are the key properties of 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide?
1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide has a molecular weight of 338.45 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide is sourced from PubChem (CID 138995427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).