5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one

C15H17NO3S2 — CID 15575181

IUPAC5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCCC3)ccc2SC12CC2
InChIInChI=1S/C15H17NO3S2/c17-14-12-10-11(4-5-13(12)20-15(14)6-7-15)21(18,19)16-8-2-1-3-9-16/h4-5,10H,1-3,6-9H2
InChIKeyKVGGBIPVYOBZEI-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.68
Rot. Bonds2

About 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one

5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one (PubChem CID 15575181) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
PubChem CID15575181
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCCC3)ccc2SC12CC2
InChIInChI=1S/C15H17NO3S2/c17-14-12-10-11(4-5-13(12)20-15(14)6-7-15)21(18,19)16-8-2-1-3-9-16/h4-5,10H,1-3,6-9H2
InChIKeyKVGGBIPVYOBZEI-UHFFFAOYSA-N
XLogP2.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
2-methyl-6-piperidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 110759488
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 18422443
2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one
CID 135154329
3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
CID 50760016
2-methyl-6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzothiazin-3-one
CID 22550140
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
CID 1137411
7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949437
1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860179
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one?
The IUPAC name of 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one (CID 15575181) is 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one?
The canonical SMILES for 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one is O=C1c2cc(S(=O)(=O)N3CCCCC3)ccc2SC12CC2.
What is the InChIKey of 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one?
The InChIKey is KVGGBIPVYOBZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-14-12-10-11(4-5-13(12)20-15(14)6-7-15)21(18,19)16-8-2-1-3-9-16/h4-5,10H,1-3,6-9H2.
What are the key properties of 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one?
5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one has a molecular weight of 323.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 15575181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).