1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol

C13H16N2O3S — CID 80701942

IUPAC1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C13H16N2O3S/c1-13(16)6-8-15(9-7-13)12-10-4-2-3-5-11(10)19(17,18)14-12/h2-5,16H,6-9H2,1H3
InChIKeyPQDLPZCNSFKZPQ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.98
Rot. Bonds

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol (PubChem CID 80701942) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol
PubChem CID80701942
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C13H16N2O3S/c1-13(16)6-8-15(9-7-13)12-10-4-2-3-5-11(10)19(17,18)14-12/h2-5,16H,6-9H2,1H3
InChIKeyPQDLPZCNSFKZPQ-UHFFFAOYSA-N
XLogP0.98
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Piperazin-1-yl)-1,2-benzothiazole-1,1-dione
CID 695718
1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide
CID 171275
3-(4-Isobutyryl-1-piperazinyl)-1,2-benzisothiazole 1,1-dioxide
CID 685567
3-(4-Benzyl-piperazin-1-yl)-benzo[d]isothiazole 1,1-dioxide
CID 648547
1-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]butan-1-one
CID 742754
3-Morpholin-4-yl-benzo[d]isothiazole 1,1-dioxide
CID 433486
3-Dimethylamino-psi-saccharin
CID 64793
1,2-Benzisothiazole, 3-(hexahydro-1H-azepin-1-yl)-, 1,1-dioxide
CID 535203
2-((1,1-Dioxo-1,2-benzothiazol-3-yl)(methyl)amino)acetic acid
CID 4962495
3-[3-(Trifluoromethyl)piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 4885395
2-[(1,1-Dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 45796007
1,2-Benzisothiazole, 3-piperidino-, 1,1-dioxide
CID 100619

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol (CID 80701942) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol?
The InChIKey is PQDLPZCNSFKZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-13(16)6-8-15(9-7-13)12-10-4-2-3-5-11(10)19(17,18)14-12/h2-5,16H,6-9H2,1H3.
What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol?
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol has a molecular weight of 280.35 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 80701942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).