N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride

C11H15Cl3N2OS — CID 119476389

IUPACN-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-7-3-1-6(14)2-4-7;/h5-7H,1-4,14H2,(H,15,16);1H
InChIKeyWKHOEDODDNUEBB-UHFFFAOYSA-N
MW329.68 g/mol
LogP3.48
Rot. Bonds2

About N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride (PubChem CID 119476389) has the molecular formula C11H15Cl3N2OS and a molecular weight of 329.68 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
PubChem CID119476389
Molecular FormulaC11H15Cl3N2OS
Molecular Weight329.68 g/mol
Exact Mass328.00
IUPAC NameN-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-7-3-1-6(14)2-4-7;/h5-7H,1-4,14H2,(H,15,16);1H
InChIKeyWKHOEDODDNUEBB-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.68
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(8-azabicyclo[3.2.1]octan-3-yl)-2,5-dichlorothiophene-3-carboxamide
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CID 79114648
N-(2-bromocycloheptyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966231
(3-aminopyrrolidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119482772
N-(4-aminocyclohexyl)-4-chloro-2-nitrobenzamide
CID 62313306
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride (CID 119476389) is N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride?
The InChIKey is WKHOEDODDNUEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS.ClH/c12-9-5-8(10(13)17-9)11(16)15-7-3-1-6(14)2-4-7;/h5-7H,1-4,14H2,(H,15,16);1H.
What are the key properties of N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride has a molecular weight of 329.68 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119476389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).