N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride

C11H18BrClN2OS — CID 119499711

IUPACN-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCc1cc(Br)cs1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-8(13)4-5-14-11(15)3-2-10-6-9(12)7-16-10;/h6-8H,2-5,13H2,1H3,(H,14,15);1H
InChIKeyLLQVTPDLDPYEKE-UHFFFAOYSA-N
MW341.70 g/mol
LogP2.72
Rot. Bonds6

About N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride

N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride (PubChem CID 119499711) has the molecular formula C11H18BrClN2OS and a molecular weight of 341.70 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
PubChem CID119499711
Molecular FormulaC11H18BrClN2OS
Molecular Weight341.70 g/mol
Exact Mass340.00
IUPAC NameN-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCc1cc(Br)cs1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-8(13)4-5-14-11(15)3-2-10-6-9(12)7-16-10;/h6-8H,2-5,13H2,1H3,(H,14,15);1H
InChIKeyLLQVTPDLDPYEKE-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119498486
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
2-[[3-(4-bromothiophen-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252765
3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide
CID 116846376
2-amino-4-[2-(4-bromothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181152
(2R)-2-[3-(4-bromothiophen-2-yl)propanoylamino]-3-methylbutanoic acid
CID 119368217
N-(3-amino-2-methylpropyl)-4-(4-bromothiophen-2-yl)butanamide
CID 115271782
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119600366
3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide
CID 115155059
2-[3-(4-bromothiophen-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188027
3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 131963103
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride (CID 119499711) is N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride is CC(N)CCNC(=O)CCc1cc(Br)cs1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride?
The InChIKey is LLQVTPDLDPYEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS.ClH/c1-8(13)4-5-14-11(15)3-2-10-6-9(12)7-16-10;/h6-8H,2-5,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride has a molecular weight of 341.70 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119499711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).