4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid

C14H21NO2S — CID 115149148

IUPAC4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CCc1cccs1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21NO2S/c1-15(9-8-13-3-2-10-18-13)12-6-4-11(5-7-12)14(16)17/h2-3,10-12H,4-9H2,1H3,(H,16,17)
InChIKeyDYWKKODLBBOAFN-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.87
Rot. Bonds5

About 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid

4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 115149148) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID115149148
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CCc1cccs1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C14H21NO2S/c1-15(9-8-13-3-2-10-18-13)12-6-4-11(5-7-12)14(16)17/h2-3,10-12H,4-9H2,1H3,(H,16,17)
InChIKeyDYWKKODLBBOAFN-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 43527825
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
3-[cyclopropyl-[methyl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61197167
4-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 79120186

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid (CID 115149148) is 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid is CN(CCc1cccs1)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DYWKKODLBBOAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-15(9-8-13-3-2-10-18-13)12-6-4-11(5-7-12)14(16)17/h2-3,10-12H,4-9H2,1H3,(H,16,17).
What are the key properties of 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid?
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 267.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115149148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).