N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride

C12H21BrClN3O3S2 — CID 119668744

IUPACN-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CNS(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C12H20BrN3O3S2.ClH/c1-2-3-4-9(7-14)16-11(17)8-15-21(18,19)12-6-5-10(13)20-12;/h5-6,9,15H,2-4,7-8,14H2,1H3,(H,16,17);1H
InChIKeyBXLURWOPUJPRTD-UHFFFAOYSA-N
MW434.81 g/mol
LogP1.84
Rot. Bonds9

About N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride

N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride (PubChem CID 119668744) has the molecular formula C12H21BrClN3O3S2 and a molecular weight of 434.81 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
PubChem CID119668744
Molecular FormulaC12H21BrClN3O3S2
Molecular Weight434.81 g/mol
Exact Mass432.99
IUPAC NameN-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CNS(=O)(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C12H20BrN3O3S2.ClH/c1-2-3-4-9(7-14)16-11(17)8-15-21(18,19)12-6-5-10(13)20-12;/h5-6,9,15H,2-4,7-8,14H2,1H3,(H,16,17);1H
InChIKeyBXLURWOPUJPRTD-UHFFFAOYSA-N
XLogP1.84
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 51.84
H-Bond Donors ≤ 53
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)sulfonylamino]-N-methylacetamide;hydrochloride
CID 119585221
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3298389
N-(1-aminohexan-2-yl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 119667308
2-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 65222656
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991518
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-2-methylpropanoate
CID 51131047
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
N-(1-aminohexan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119665333
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
5-bromo-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 110407051

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride (CID 119668744) is N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride is CCCCC(CN)NC(=O)CNS(=O)(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride?
The InChIKey is BXLURWOPUJPRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O3S2.ClH/c1-2-3-4-9(7-14)16-11(17)8-15-21(18,19)12-6-5-10(13)20-12;/h5-6,9,15H,2-4,7-8,14H2,1H3,(H,16,17);1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride has a molecular weight of 434.81 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide;hydrochloride is sourced from PubChem (CID 119668744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).