5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride

C10H16BrClN2O2S2 — CID 166174114

IUPAC5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC[C@@H]1CCCNC1)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2O2S2.ClH/c11-9-3-4-10(16-9)17(14,15)13-7-8-2-1-5-12-6-8;/h3-4,8,12-13H,1-2,5-7H2;1H/t8-;/m1./s1
InChIKeyDXAIIPNYTPUIOM-DDWIOCJRSA-N
MW375.74 g/mol
LogP2.21
Rot. Bonds4

About 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride

5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride (PubChem CID 166174114) has the molecular formula C10H16BrClN2O2S2 and a molecular weight of 375.74 g/mol. Its IUPAC name is 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
PubChem CID166174114
Molecular FormulaC10H16BrClN2O2S2
Molecular Weight375.74 g/mol
Exact Mass373.95
IUPAC Name5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC[C@@H]1CCCNC1)c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2O2S2.ClH/c11-9-3-4-10(16-9)17(14,15)13-7-8-2-1-5-12-6-8;/h3-4,8,12-13H,1-2,5-7H2;1H/t8-;/m1./s1
InChIKeyDXAIIPNYTPUIOM-DDWIOCJRSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
CID 119464585
5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
CID 94479341
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
5-bromo-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71636318
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide
CID 125439832
5-bromo-2-chloro-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride (CID 166174114) is 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride is Cl.O=S(=O)(NC[C@@H]1CCCNC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is DXAIIPNYTPUIOM-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H15BrN2O2S2.ClH/c11-9-3-4-10(16-9)17(14,15)13-7-8-2-1-5-12-6-8;/h3-4,8,12-13H,1-2,5-7H2;1H/t8-;/m1./s1.
What are the key properties of 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride?
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 166174114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).