2-cyclopentylsulfonyl-1,3-benzothiazole

C12H13NO2S2 — CID 101459308

IUPAC2-cyclopentylsulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)C1CCCC1
InChIInChI=1S/C12H13NO2S2/c14-17(15,9-5-1-2-6-9)12-13-10-7-3-4-8-11(10)16-12/h3-4,7-9H,1-2,5-6H2
InChIKeyYUZIETZPJNKQCV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.01
Rot. Bonds2

About 2-cyclopentylsulfonyl-1,3-benzothiazole

2-cyclopentylsulfonyl-1,3-benzothiazole (PubChem CID 101459308) has the molecular formula C12H13NO2S2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-1,3-benzothiazole
PubChem CID101459308
Molecular FormulaC12H13NO2S2
Molecular Weight267.37 g/mol
Exact Mass267.04
IUPAC Name2-cyclopentylsulfonyl-1,3-benzothiazole
SMILESO=S(=O)(c1nc2ccccc2s1)C1CCCC1
InChIInChI=1S/C12H13NO2S2/c14-17(15,9-5-1-2-6-9)12-13-10-7-3-4-8-11(10)16-12/h3-4,7-9H,1-2,5-6H2
InChIKeyYUZIETZPJNKQCV-UHFFFAOYSA-N
XLogP3.01
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-3-ylsulfonyl-1,3-benzothiazole
CID 71645533
4-(1,3-benzothiazol-2-ylsulfonyl)piperidine-1-carboxylic acid
CID 69184230
2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole
CID 170903786
2-(cyclopropylmethylsulfonyl)-1,3-benzothiazole
CID 18697962
potassium;1,3-benzothiazole-2-sulfonate;hydrate
CID 44726049
1,3-benzothiazole-2-sulfonohydrazide
CID 163739886
N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
CID 71645908
2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride
CID 71645864
2-cyclohexylsulfinyl-1,3-benzothiazole
CID 20524678
(3aR,7aR)-2-(1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2253497
1-[(3S)-3-(1,3-benzothiazol-2-ylsulfonylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58452853
4-(1,3-benzothiazol-2-ylsulfonylmethyl)-1-methylpiperidin-2-one
CID 146509399

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-1,3-benzothiazole?
The IUPAC name of 2-cyclopentylsulfonyl-1,3-benzothiazole (CID 101459308) is 2-cyclopentylsulfonyl-1,3-benzothiazole.
What is the SMILES notation for 2-cyclopentylsulfonyl-1,3-benzothiazole?
The canonical SMILES for 2-cyclopentylsulfonyl-1,3-benzothiazole is O=S(=O)(c1nc2ccccc2s1)C1CCCC1.
What is the InChIKey of 2-cyclopentylsulfonyl-1,3-benzothiazole?
The InChIKey is YUZIETZPJNKQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c14-17(15,9-5-1-2-6-9)12-13-10-7-3-4-8-11(10)16-12/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 2-cyclopentylsulfonyl-1,3-benzothiazole?
2-cyclopentylsulfonyl-1,3-benzothiazole has a molecular weight of 267.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-1,3-benzothiazole is sourced from PubChem (CID 101459308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).