cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H19NO3S — CID 97031564

IUPACcis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1ccsc1C(=O)N[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-2-9-7-8-19-12(9)13(16)15-11-6-4-3-5-10(11)14(17)18/h7-8,10-11H,2-6H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1
InChIKeyDOBWZKHWNYNTKR-MNOVXSKESA-N
MW281.38 g/mol
LogP2.68
Rot. Bonds4

About cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 97031564) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID97031564
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namecis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1ccsc1C(=O)N[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H19NO3S/c1-2-9-7-8-19-12(9)13(16)15-11-6-4-3-5-10(11)14(17)18/h7-8,10-11H,2-6H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1
InChIKeyDOBWZKHWNYNTKR-MNOVXSKESA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
4-[(3-ethylthiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222473
cis-(1S,2R)-2-[(3-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161410
N-(2-aminocyclopentyl)-3-ethylthiophene-2-carboxamide
CID 63251494
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
N-(4-chloro-1,1-dioxothiolan-3-yl)-3-ethylthiophene-2-carboxamide
CID 115338844
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
2-[(3-ethylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546463
N-[(1R,2S)-2-(methylcarbamoyl)cyclohexyl]-3-methylsulfanylthiophene-2-carboxamide
CID 97062231
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 97031564) is cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is CCc1ccsc1C(=O)N[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DOBWZKHWNYNTKR-MNOVXSKESA-N. The full InChI is InChI=1S/C14H19NO3S/c1-2-9-7-8-19-12(9)13(16)15-11-6-4-3-5-10(11)14(17)18/h7-8,10-11H,2-6H2,1H3,(H,15,16)(H,17,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 97031564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).