1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one

C15H19NO3S — CID 24747571

IUPAC1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one
SMILESCC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1C1CCCC1
InChIInChI=1S/C15H19NO3S/c1-11(17)10-14-13-8-4-5-9-15(13)20(18,19)16(14)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3/t14-/m0/s1
InChIKeyOUBIUQKKBXQELE-AWEZNQCLSA-N
MW293.39 g/mol
LogP2.65
Rot. Bonds3

About 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one

1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one (PubChem CID 24747571) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one
PubChem CID24747571
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one
SMILESCC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1C1CCCC1
InChIInChI=1S/C15H19NO3S/c1-11(17)10-14-13-8-4-5-9-15(13)20(18,19)16(14)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3/t14-/m0/s1
InChIKeyOUBIUQKKBXQELE-AWEZNQCLSA-N
XLogP2.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one?
The IUPAC name of 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one (CID 24747571) is 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one.
What is the SMILES notation for 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one?
The canonical SMILES for 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one is CC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1C1CCCC1.
What is the InChIKey of 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one?
The InChIKey is OUBIUQKKBXQELE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(17)10-14-13-8-4-5-9-15(13)20(18,19)16(14)12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one?
1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one has a molecular weight of 293.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2-cyclopentyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]propan-2-one is sourced from PubChem (CID 24747571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).