2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H19NO3S — CID 43396486

IUPAC2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1cccs1)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-15(9-10-5-4-8-19-10)13(16)11-6-2-3-7-12(11)14(17)18/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyWHMPKDPXDUBDQD-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.60
Rot. Bonds4

About 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 43396486) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID43396486
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(Cc1cccs1)C(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-15(9-10-5-4-8-19-10)13(16)11-6-2-3-7-12(11)14(17)18/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyWHMPKDPXDUBDQD-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890
2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975012
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978324
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 19616909
1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 43527825

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 43396486) is 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid is CN(Cc1cccs1)C(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WHMPKDPXDUBDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-15(9-10-5-4-8-19-10)13(16)11-6-2-3-7-12(11)14(17)18/h4-5,8,11-12H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43396486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).