ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide

C14H22N2O2S — CID 176678082

IUPACethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide
SMILESCC.CN1CCC2(CC1)c1ccccc1NS2(=O)=O
InChIInChI=1S/C12H16N2O2S.C2H6/c1-14-8-6-12(7-9-14)10-4-2-3-5-11(10)13-17(12,15)16;1-2/h2-5,13H,6-9H2,1H3;1-2H3
InChIKeyXSVLVHWPTXUCMA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.39
Rot. Bonds

About ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide

ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide (PubChem CID 176678082) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide.

Molecular Properties

Compound Nameethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide
PubChem CID176678082
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide
SMILESCC.CN1CCC2(CC1)c1ccccc1NS2(=O)=O
InChIInChI=1S/C12H16N2O2S.C2H6/c1-14-8-6-12(7-9-14)10-4-2-3-5-11(10)13-17(12,15)16;1-2/h2-5,13H,6-9H2,1H3;1-2H3
InChIKeyXSVLVHWPTXUCMA-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 176678113
1'-methylspiro[1,3-dihydroindole-2,4'-piperidine]
CID 170208528
1-methylspiro[piperidine-4,9'-thioxanthene] 10',10'-dioxide
CID 22463940
4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde
CID 88542986
1,3-dihydro-2,1-benzothiazole 2,2-dioxide;ethane
CID 54266090
1'-methyl-2-(2-phenylphenyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 12733516
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
1'-methyl-4-methylidenespiro[1,3-dihydroquinoline-2,4'-piperidine]
CID 142044677
[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine
CID 84725142
1'-methyl-1-phosphanylspiro[indole-3,4'-piperidine]-2-one
CID 59352034
1-[2-(4-hydroxy-1-methylpiperidin-4-yl)phenyl]ethanone
CID 105493011
4-(2-bromophenyl)-1-methylpiperidin-4-ol
CID 53417639

Frequently Asked Questions

What is the IUPAC name of ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide?
The IUPAC name of ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide (CID 176678082) is ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide.
What is the SMILES notation for ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide?
The canonical SMILES for ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide is CC.CN1CCC2(CC1)c1ccccc1NS2(=O)=O.
What is the InChIKey of ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide?
The InChIKey is XSVLVHWPTXUCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S.C2H6/c1-14-8-6-12(7-9-14)10-4-2-3-5-11(10)13-17(12,15)16;1-2/h2-5,13H,6-9H2,1H3;1-2H3.
What are the key properties of ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide?
ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide has a molecular weight of 282.41 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-methylspiro[1H-2,1-benzothiazole-3,4'-piperidine] 2,2-dioxide is sourced from PubChem (CID 176678082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).