5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide

C11H17BrN2OS — CID 82852008

IUPAC5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
SMILESCC(N)CCCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-8(13)3-2-4-11(15)14-7-9-5-6-10(12)16-9/h5-6,8H,2-4,7,13H2,1H3,(H,14,15)
InChIKeyKDZTUKVKISJNMH-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.64
Rot. Bonds6

About 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide

5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide (PubChem CID 82852008) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
PubChem CID82852008
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
SMILESCC(N)CCCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C11H17BrN2OS/c1-8(13)3-2-4-11(15)14-7-9-5-6-10(12)16-9/h5-6,8H,2-4,7,13H2,1H3,(H,14,15)
InChIKeyKDZTUKVKISJNMH-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 61011624
N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide
CID 79210221
N-[(5-bromothiophen-2-yl)methyl]-4-ethoxybutanamide
CID 112728063
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552
2-amino-4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutanoic acid
CID 115181064
tert-butyl N-[4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutyl]carbamate
CID 55590483
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203
5-amino-N-(thiophen-3-ylmethyl)hexanamide
CID 82851671
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylbutanamide
CID 61165377

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide?
The IUPAC name of 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide (CID 82852008) is 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide.
What is the SMILES notation for 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide?
The canonical SMILES for 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide is CC(N)CCCC(=O)NCc1ccc(Br)s1.
What is the InChIKey of 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide?
The InChIKey is KDZTUKVKISJNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-8(13)3-2-4-11(15)14-7-9-5-6-10(12)16-9/h5-6,8H,2-4,7,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide?
5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide has a molecular weight of 305.24 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide is sourced from PubChem (CID 82852008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).