2-(4-methylsulfanyloxan-4-yl)acetic acid

C8H14O3S — CID 84662783

IUPAC2-(4-methylsulfanyloxan-4-yl)acetic acid
SMILESCSC1(CC(=O)O)CCOCC1
InChIInChI=1S/C8H14O3S/c1-12-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3,(H,9,10)
InChIKeyBPXXXWUJLDXDNW-UHFFFAOYSA-N
MW190.26 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-methylsulfanyloxan-4-yl)acetic acid

2-(4-methylsulfanyloxan-4-yl)acetic acid (PubChem CID 84662783) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-(4-methylsulfanyloxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylsulfanyloxan-4-yl)acetic acid
PubChem CID84662783
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name2-(4-methylsulfanyloxan-4-yl)acetic acid
SMILESCSC1(CC(=O)O)CCOCC1
InChIInChI=1S/C8H14O3S/c1-12-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3,(H,9,10)
InChIKeyBPXXXWUJLDXDNW-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylsulfanyloxan-4-yl)acetic 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

2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 119336130
2-[4-(2-methylpropyl)oxan-4-yl]acetic acid
CID 83819264
4-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]butanamide
CID 119336140
2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride
CID 45260303
2-(4-hydroxyoxepan-4-yl)acetic acid
CID 65081306
4-[[[2-[(1-methylsulfanylcyclobutyl)methylamino]-2-oxoacetyl]amino]methyl]oxane-4-carboxylic acid
CID 146092896
2-(3-ethoxyoxolan-3-yl)acetic acid
CID 105435742
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
CID 119336131
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
CID 119336127
4-acetyl-N'-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]piperazine-1-carboximidamide
CID 119139339
3-(methylsulfanylmethyl)oxolane-3-carboxylic acid
CID 84655667

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanyloxan-4-yl)acetic acid?
The IUPAC name of 2-(4-methylsulfanyloxan-4-yl)acetic acid (CID 84662783) is 2-(4-methylsulfanyloxan-4-yl)acetic acid.
What is the SMILES notation for 2-(4-methylsulfanyloxan-4-yl)acetic acid?
The canonical SMILES for 2-(4-methylsulfanyloxan-4-yl)acetic acid is CSC1(CC(=O)O)CCOCC1.
What is the InChIKey of 2-(4-methylsulfanyloxan-4-yl)acetic acid?
The InChIKey is BPXXXWUJLDXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-12-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3,(H,9,10).
What are the key properties of 2-(4-methylsulfanyloxan-4-yl)acetic acid?
2-(4-methylsulfanyloxan-4-yl)acetic acid has a molecular weight of 190.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanyloxan-4-yl)acetic acid is sourced from PubChem (CID 84662783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).