2-amino-1-(4-ethylsulfonylphenyl)ethanethiol

C10H15NO2S2 — CID 116868654

IUPAC2-amino-1-(4-ethylsulfonylphenyl)ethanethiol
SMILESCCS(=O)(=O)c1ccc(C(S)CN)cc1
InChIInChI=1S/C10H15NO2S2/c1-2-15(12,13)9-5-3-8(4-6-9)10(14)7-11/h3-6,10,14H,2,7,11H2,1H3
InChIKeyZLIFDSWXBAJTSJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol

2-amino-1-(4-ethylsulfonylphenyl)ethanethiol (PubChem CID 116868654) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol.

Molecular Properties

Compound Name2-amino-1-(4-ethylsulfonylphenyl)ethanethiol
PubChem CID116868654
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name2-amino-1-(4-ethylsulfonylphenyl)ethanethiol
SMILESCCS(=O)(=O)c1ccc(C(S)CN)cc1
InChIInChI=1S/C10H15NO2S2/c1-2-15(12,13)9-5-3-8(4-6-9)10(14)7-11/h3-6,10,14H,2,7,11H2,1H3
InChIKeyZLIFDSWXBAJTSJ-UHFFFAOYSA-N
XLogP1.41
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
CID 83927251
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
cyclopropyl-(4-ethylsulfonylphenyl)methanamine
CID 71015786
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
1-[(R)-bromo(phenyl)methyl]-4-ethylsulfonylbenzene
CID 93484609
2-(4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425917
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
CID 82477614
1-[4-(2-methylpropylsulfonyl)phenyl]ethanamine
CID 82550580
[(2R)-2-amino-2-(4-ethylsulfonylphenyl)ethyl] carbamate;hydrochloride
CID 166644392

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol?
The IUPAC name of 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol (CID 116868654) is 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol.
What is the SMILES notation for 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol?
The canonical SMILES for 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol is CCS(=O)(=O)c1ccc(C(S)CN)cc1.
What is the InChIKey of 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol?
The InChIKey is ZLIFDSWXBAJTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-2-15(12,13)9-5-3-8(4-6-9)10(14)7-11/h3-6,10,14H,2,7,11H2,1H3.
What are the key properties of 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol?
2-amino-1-(4-ethylsulfonylphenyl)ethanethiol has a molecular weight of 245.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylsulfonylphenyl)ethanethiol is sourced from PubChem (CID 116868654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).