4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

C13H20N2OS — CID 54928756

IUPAC4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1CCC(N)CC1
InChIInChI=1S/C13H20N2OS/c1-15(9-12-3-2-8-17-12)13(16)10-4-6-11(14)7-5-10/h2-3,8,10-11H,4-7,9,14H2,1H3
InChIKeySHZZKGCPJABHBC-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.22
Rot. Bonds3

About 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide

4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 54928756) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID54928756
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1CCC(N)CC1
InChIInChI=1S/C13H20N2OS/c1-15(9-12-3-2-8-17-12)13(16)10-4-6-11(14)7-5-10/h2-3,8,10-11H,4-7,9,14H2,1H3
InChIKeySHZZKGCPJABHBC-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
1-cyclopropyl-2-[ethyl(thiophen-2-ylmethyl)amino]ethanone
CID 63914335
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide (CID 54928756) is 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is CN(Cc1cccs1)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is SHZZKGCPJABHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(9-12-3-2-8-17-12)13(16)10-4-6-11(14)7-5-10/h2-3,8,10-11H,4-7,9,14H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide?
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 54928756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).