1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide

C13H19ClN2OS — CID 115437904

IUPAC1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C13H19ClN2OS/c14-11-5-4-10(18-11)8-16-12(17)13(9-15)6-2-1-3-7-13/h4-5H,1-3,6-9,15H2,(H,16,17)
InChIKeyIUDQCPQBERIANT-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.93
Rot. Bonds4

About 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 115437904) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID115437904
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C13H19ClN2OS/c14-11-5-4-10(18-11)8-16-12(17)13(9-15)6-2-1-3-7-13/h4-5H,1-3,6-9,15H2,(H,16,17)
InChIKeyIUDQCPQBERIANT-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]cycloheptane-1-carboxamide
CID 106047919
2-[1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64701883
1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
CID 116600380
2-(1-aminocyclopentyl)-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 64676702
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246509
1-[(5-chlorothiophen-2-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 29051217
4-(aminomethyl)-N-[(5-ethylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 106011910
1-(aminomethyl)-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 81484979
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcycloheptane-1-carboxamide
CID 115443872
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120925200
4-(aminomethyl)-N-[(5-methylthiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120922244

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide (CID 115437904) is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide is NCC1(C(=O)NCc2ccc(Cl)s2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is IUDQCPQBERIANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c14-11-5-4-10(18-11)8-16-12(17)13(9-15)6-2-1-3-7-13/h4-5H,1-3,6-9,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 286.83 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115437904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).