N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide

C12H17IN2OS — CID 79692726

IUPACN-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
SMILESNCC1CCCCC1NC(=O)c1csc(I)c1
InChIInChI=1S/C12H17IN2OS/c13-11-5-9(7-17-11)12(16)15-10-4-2-1-3-8(10)6-14/h5,7-8,10H,1-4,6,14H2,(H,15,16)
InChIKeyIZNXZELQBFGWEC-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.60
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide (PubChem CID 79692726) has the molecular formula C12H17IN2OS and a molecular weight of 364.25 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
PubChem CID79692726
Molecular FormulaC12H17IN2OS
Molecular Weight364.25 g/mol
Exact Mass364.01
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
SMILESNCC1CCCCC1NC(=O)c1csc(I)c1
InChIInChI=1S/C12H17IN2OS/c13-11-5-9(7-17-11)12(16)15-10-4-2-1-3-8(10)6-14/h5,7-8,10H,1-4,6,14H2,(H,15,16)
InChIKeyIZNXZELQBFGWEC-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
CID 119601552
N-[(1S,2S)-2-hydroxycyclohexyl]-5-iodothiophene-3-carboxamide
CID 104956640
N-(2-chlorocyclohexyl)-5-iodothiophene-3-carboxamide
CID 114301116
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
5-iodo-N-(2-methoxycyclopentyl)thiophene-3-carboxamide
CID 79692869
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
4-acetyl-N-[2-(aminomethyl)cyclopentyl]thiophene-2-carboxamide;hydrochloride
CID 119600925
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
CID 106367206
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclopentyl]-4-bromothiophene-2-carboxamide;hydrochloride
CID 119600817

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide (CID 79692726) is N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide is NCC1CCCCC1NC(=O)c1csc(I)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide?
The InChIKey is IZNXZELQBFGWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2OS/c13-11-5-9(7-17-11)12(16)15-10-4-2-1-3-8(10)6-14/h5,7-8,10H,1-4,6,14H2,(H,15,16).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide has a molecular weight of 364.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79692726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).