N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide

C13H23N2O2S2+ — CID 2317336

IUPACN-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(C[NH+]1CCCCC1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H22N2O2S2/c1-13(2,11-15-8-4-3-5-9-15)14-19(16,17)12-7-6-10-18-12/h6-7,10,14H,3-5,8-9,11H2,1-2H3/p+1
InChIKeyGXTHCPDSMWAZKG-UHFFFAOYSA-O
MW303.47 g/mol
LogP0.87
Rot. Bonds5

About N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide

N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 2317336) has the molecular formula C13H23N2O2S2+ and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID2317336
Molecular FormulaC13H23N2O2S2+
Molecular Weight303.47 g/mol
Exact Mass303.12
IUPAC NameN-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)(C[NH+]1CCCCC1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H22N2O2S2/c1-13(2,11-15-8-4-3-5-9-15)14-19(16,17)12-7-6-10-18-12/h6-7,10,14H,3-5,8-9,11H2,1-2H3/p+1
InChIKeyGXTHCPDSMWAZKG-UHFFFAOYSA-O
XLogP0.87
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-yl]thiophene-2-sulfonamide
CID 25048155
N-[3-(bromomethyl)pentan-3-yl]thiophene-2-sulfonamide
CID 114294053
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 64555451
2-methyl-2-(thiophen-2-ylsulfonylamino)propanethioamide
CID 61121428
methyl (2R)-2-methyl-2-(thiophen-2-ylsulfonylamino)pentanoate
CID 93045702
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 110870510
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
N-fluorothiophene-2-sulfonamide
CID 175398216
N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide
CID 110440536
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiophene-2-sulfonamide
CID 2322147
N-[(1-phenylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 42269285
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide (CID 2317336) is N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide is CC(C)(C[NH+]1CCCCC1)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is GXTHCPDSMWAZKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H22N2O2S2/c1-13(2,11-15-8-4-3-5-9-15)14-19(16,17)12-7-6-10-18-12/h6-7,10,14H,3-5,8-9,11H2,1-2H3/p+1.
What are the key properties of N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide?
N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-piperidin-1-ium-1-ylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2317336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).