4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide

C16H20N2OS — CID 79526732

IUPAC4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C16H20N2OS/c17-10-11-1-3-12(4-2-11)16(19)18-14-5-6-15-13(9-14)7-8-20-15/h5-9,11-12H,1-4,10,17H2,(H,18,19)
InChIKeyIWVSZFUFZIASGH-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.60
Rot. Bonds3

About 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide (PubChem CID 79526732) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
PubChem CID79526732
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)Nc2ccc3sccc3c2)CC1
InChIInChI=1S/C16H20N2OS/c17-10-11-1-3-12(4-2-11)16(19)18-14-5-6-15-13(9-14)7-8-20-15/h5-9,11-12H,1-4,10,17H2,(H,18,19)
InChIKeyIWVSZFUFZIASGH-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
CID 60848684
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
CID 79510866
4-amino-N-(1-benzothiophen-5-yl)cyclopent-2-ene-1-carboxamide
CID 79211097
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
CID 104963718
4-(aminomethyl)-N-(3-ethynylphenyl)cyclohexane-1-carboxamide
CID 79527469
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 81488925
N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79389065
N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide
CID 60866896
1-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclopentane-1-carboxamide
CID 81489454
4-(aminomethyl)-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 79511673
N-(1-benzothiophen-5-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828258

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide (CID 79526732) is 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)Nc2ccc3sccc3c2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide?
The InChIKey is IWVSZFUFZIASGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-10-11-1-3-12(4-2-11)16(19)18-14-5-6-15-13(9-14)7-8-20-15/h5-9,11-12H,1-4,10,17H2,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79526732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).