N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide

C15H21N3O2S2 — CID 163352944

IUPACN-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCCc1ccc2nc(N3CCCC(NS(C)(=O)=O)C3)sc2c1
InChIInChI=1S/C15H21N3O2S2/c1-3-11-6-7-13-14(9-11)21-15(16-13)18-8-4-5-12(10-18)17-22(2,19)20/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyIMEGZEQQRYOGJD-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.38
Rot. Bonds4

About N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide

N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 163352944) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide
PubChem CID163352944
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCCc1ccc2nc(N3CCCC(NS(C)(=O)=O)C3)sc2c1
InChIInChI=1S/C15H21N3O2S2/c1-3-11-6-7-13-14(9-11)21-15(16-13)18-8-4-5-12(10-18)17-22(2,19)20/h6-7,9,12,17H,3-5,8,10H2,1-2H3
InChIKeyIMEGZEQQRYOGJD-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997524
6-ethyl-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 108781505
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
2-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]propan-2-ol
CID 172891718
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 16941609
1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691603
1-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 15987809
6-ethyl-2-[4-(oxan-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 172901090
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171997770
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7538935

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide (CID 163352944) is N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide is CCc1ccc2nc(N3CCCC(NS(C)(=O)=O)C3)sc2c1.
What is the InChIKey of N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is IMEGZEQQRYOGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-3-11-6-7-13-14(9-11)21-15(16-13)18-8-4-5-12(10-18)17-22(2,19)20/h6-7,9,12,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 339.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 163352944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).