4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid

C11H20O2S — CID 114989210

IUPAC4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
SMILESCCSC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C11H20O2S/c1-3-9-5-7-11(8-6-9,10(12)13)14-4-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyVPHBTGIDELQOOX-UHFFFAOYSA-N
MW216.35 g/mol
LogP3.16
Rot. Bonds4

About 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid

4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid (PubChem CID 114989210) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
PubChem CID114989210
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
SMILESCCSC1(C(=O)O)CCC(CC)CC1
InChIInChI=1S/C11H20O2S/c1-3-9-5-7-11(8-6-9,10(12)13)14-4-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyVPHBTGIDELQOOX-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethylsulfanyl-1,1-dioxothiane-4-carboxylic acid
CID 82237024
(1-amino-4-ethylcyclohexyl)methanol
CID 61055822
1-(1-carboxycyclohexyl)-4-ethylcyclohexane-1-carboxylic acid
CID 70366227
4-methyl-1-propylsulfanylcyclohexane-1-carboxylic acid
CID 61343481
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
CID 124509233
2-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43803655
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
acetic acid;ethylcyclopropane
CID 175213909
1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82238491
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
4-ethyl-1-pyrrol-1-ylcyclohexane-1-carboxylic acid
CID 61293780

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid (CID 114989210) is 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid is CCSC1(C(=O)O)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid?
The InChIKey is VPHBTGIDELQOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-3-9-5-7-11(8-6-9,10(12)13)14-4-2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid?
4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid has a molecular weight of 216.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114989210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).