2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide

C12H18BrN3O3S2 — CID 119464585

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCC1CCCNC1
InChIInChI=1S/C12H18BrN3O3S2/c13-10-3-4-12(20-10)21(18,19)16-8-11(17)15-7-9-2-1-5-14-6-9/h3-4,9,14,16H,1-2,5-8H2,(H,15,17)
InChIKeyZZFTZYQELVNDPE-UHFFFAOYSA-N
MW396.33 g/mol
LogP0.90
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 119464585) has the molecular formula C12H18BrN3O3S2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
PubChem CID119464585
Molecular FormulaC12H18BrN3O3S2
Molecular Weight396.33 g/mol
Exact Mass395.00
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCC1CCCNC1
InChIInChI=1S/C12H18BrN3O3S2/c13-10-3-4-12(20-10)21(18,19)16-8-11(17)15-7-9-2-1-5-14-6-9/h3-4,9,14,16H,1-2,5-8H2,(H,15,17)
InChIKeyZZFTZYQELVNDPE-UHFFFAOYSA-N
XLogP0.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119464147
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991518
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 119376871
5-[[(3S)-piperidin-3-yl]methylsulfamoyl]thiophene-3-carboxamide
CID 125439832
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide (CID 119464585) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)NCC1CCCNC1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is ZZFTZYQELVNDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S2/c13-10-3-4-12(20-10)21(18,19)16-8-11(17)15-7-9-2-1-5-14-6-9/h3-4,9,14,16H,1-2,5-8H2,(H,15,17).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 396.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 119464585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).