N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride

C10H17BrClN3O3S2 — CID 119585221

IUPACN-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CNS(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C10H16BrN3O3S2.ClH/c1-7(5-12)14(2)9(15)6-13-19(16,17)10-4-3-8(11)18-10;/h3-4,7,13H,5-6,12H2,1-2H3;1H
InChIKeyVJVVGLGVQKVUOB-UHFFFAOYSA-N
MW406.76 g/mol
LogP1.02
Rot. Bonds6

About N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride (PubChem CID 119585221) has the molecular formula C10H17BrClN3O3S2 and a molecular weight of 406.76 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride
PubChem CID119585221
Molecular FormulaC10H17BrClN3O3S2
Molecular Weight406.76 g/mol
Exact Mass404.96
IUPAC NameN-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CNS(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C10H16BrN3O3S2.ClH/c1-7(5-12)14(2)9(15)6-13-19(16,17)10-4-3-8(11)18-10;/h3-4,7,13H,5-6,12H2,1-2H3;1H
InChIKeyVJVVGLGVQKVUOB-UHFFFAOYSA-N
XLogP1.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.76
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
CID 119585249
N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119668744
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991518
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3298389
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454
5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 110407051
5-bromo-N-(2-sulfanylpropyl)thiophene-2-sulfonamide
CID 57018556
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656
5-bromo-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5056774
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5-bromothiophene-2-sulfonamide
CID 119376871

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride (CID 119585221) is N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride is CC(CN)N(C)C(=O)CNS(=O)(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride?
The InChIKey is VJVVGLGVQKVUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O3S2.ClH/c1-7(5-12)14(2)9(15)6-13-19(16,17)10-4-3-8(11)18-10;/h3-4,7,13H,5-6,12H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride has a molecular weight of 406.76 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119585221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).