3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride

C14H22BrClN2OS — CID 119620416

IUPAC3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1sccc1Br
InChIInChI=1S/C14H21BrN2OS.ClH/c15-12-7-10-19-13(12)14(18)17-9-8-16-11-5-3-1-2-4-6-11;/h7,10-11,16H,1-6,8-9H2,(H,17,18);1H
InChIKeyGGUIKMPNNALNAM-UHFFFAOYSA-N
MW381.77 g/mol
LogP3.97
Rot. Bonds5

About 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride

3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119620416) has the molecular formula C14H22BrClN2OS and a molecular weight of 381.77 g/mol. Its IUPAC name is 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119620416
Molecular FormulaC14H22BrClN2OS
Molecular Weight381.77 g/mol
Exact Mass380.03
IUPAC Name3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1sccc1Br
InChIInChI=1S/C14H21BrN2OS.ClH/c15-12-7-10-19-13(12)14(18)17-9-8-16-11-5-3-1-2-4-6-11;/h7,10-11,16H,1-6,8-9H2,(H,17,18);1H
InChIKeyGGUIKMPNNALNAM-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.77
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-methylsulfanylthiophene-2-carboxamide;hydrochloride
CID 119619363
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471
3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide
CID 111426282
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
1-(3-bromothiophen-2-yl)-2-(cyclopropylamino)ethanone
CID 116555084
5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119621242

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride (CID 119620416) is 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCNC1CCCCCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is GGUIKMPNNALNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS.ClH/c15-12-7-10-19-13(12)14(18)17-9-8-16-11-5-3-1-2-4-6-11;/h7,10-11,16H,1-6,8-9H2,(H,17,18);1H.
What are the key properties of 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 381.77 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119620416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).