2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride

C11H18BrClN2OS — CID 119731588

IUPAC2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1cc(Br)cs1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-3-7(2)10(13)11(15)14-5-9-4-8(12)6-16-9;/h4,6-7,10H,3,5,13H2,1-2H3,(H,14,15);1H
InChIKeyHMTJLRUMBZPBBB-UHFFFAOYSA-N
MW341.70 g/mol
LogP2.92
Rot. Bonds5

About 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride

2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride (PubChem CID 119731588) has the molecular formula C11H18BrClN2OS and a molecular weight of 341.70 g/mol. Its IUPAC name is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
PubChem CID119731588
Molecular FormulaC11H18BrClN2OS
Molecular Weight341.70 g/mol
Exact Mass340.00
IUPAC Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1cc(Br)cs1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-3-7(2)10(13)11(15)14-5-9-4-8(12)6-16-9;/h4,6-7,10H,3,5,13H2,1-2H3,(H,14,15);1H
InChIKeyHMTJLRUMBZPBBB-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
methyl 2-[(4-bromothiophen-2-yl)methylamino]-3-methylpentanoate
CID 43732481
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
2-[[[(2S)-2-amino-3-methylpentanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380325
(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
CID 131107412
1-[(4-bromothiophen-2-yl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894443
N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 60794285

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride (CID 119731588) is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1cc(Br)cs1.Cl.
What is the InChIKey of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride?
The InChIKey is HMTJLRUMBZPBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS.ClH/c1-3-7(2)10(13)11(15)14-5-9-4-8(12)6-16-9;/h4,6-7,10H,3,5,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride has a molecular weight of 341.70 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119731588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).