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

Name: 2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₈BrClN₂OS — CID 119731588

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
PubChem CID	119731588
Molecular Formula	C₁₁H₁₈BrClN₂OS
Molecular Weight	341.70 g/mol
Exact Mass	340.00
IUPAC Name	2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
SMILES	CCC(C)C(N)C(=O)NCc1cc(Br)cs1.Cl
InChI	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
InChIKey	HMTJLRUMBZPBBB-UHFFFAOYSA-N
XLogP	2.92
TPSA	55.12 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.70
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 119731588 — identifiers, structure, computed properties (public domain)

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