N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide

C13H17N3O2S2 — CID 107806362

IUPACN-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H17N3O2S2/c17-20(18,8-11-3-1-2-6-14-11)16-10-4-5-12-13(7-10)19-9-15-12/h4-5,7,9,11,14,16H,1-3,6,8H2
InChIKeyRJWLDBCCNVMFMP-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.18
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide

N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 107806362) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID107806362
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H17N3O2S2/c17-20(18,8-11-3-1-2-6-14-11)16-10-4-5-12-13(7-10)19-9-15-12/h4-5,7,9,11,14,16H,1-3,6,8H2
InChIKeyRJWLDBCCNVMFMP-UHFFFAOYSA-N
XLogP2.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 65450515
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974227
N-(1,3-benzothiazol-6-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107806374
N-(3-methyl-1,2-oxazol-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973614
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(1,3-benzothiazol-6-yl)-1-(methylamino)propane-2-sulfonamide
CID 114142525
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
N-(azepan-4-yl)-1,3-benzothiazol-6-amine
CID 107803941
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide (CID 107806362) is N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCCN1)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is RJWLDBCCNVMFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c17-20(18,8-11-3-1-2-6-14-11)16-10-4-5-12-13(7-10)19-9-15-12/h4-5,7,9,11,14,16H,1-3,6,8H2.
What are the key properties of N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 107806362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).