2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol

C10H15NO2S2 — CID 147314995

IUPAC2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol
SMILESCc1ccc(S(=O)(=O)CC(N)CS)cc1
InChIInChI=1S/C10H15NO2S2/c1-8-2-4-10(5-3-8)15(12,13)7-9(11)6-14/h2-5,9,14H,6-7,11H2,1H3
InChIKeyCYROVUYFDMFSDR-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.03
Rot. Bonds4

About 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol

2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol (PubChem CID 147314995) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol.

Molecular Properties

Compound Name2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol
PubChem CID147314995
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol
SMILESCc1ccc(S(=O)(=O)CC(N)CS)cc1
InChIInChI=1S/C10H15NO2S2/c1-8-2-4-10(5-3-8)15(12,13)7-9(11)6-14/h2-5,9,14H,6-7,11H2,1H3
InChIKeyCYROVUYFDMFSDR-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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

3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
2-amino-3-(4-phenoxyphenyl)sulfonylpropane-1-thiol
CID 54495806
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
1-amino-3-(4-methylphenyl)sulfonylpropan-2-ol
CID 79022105
[(2R)-3,3-dimethyl-1-(4-methylphenyl)sulfonylbutan-2-yl]hydrazine
CID 124633956
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793
1-(2,3-dibromopropylsulfonyl)-4-methylbenzene
CID 15697980
(1R,2S)-3-(4-methylphenyl)sulfonyl-1,2-diphenylpropan-1-amine
CID 167596335
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
1-[(4-methylphenyl)sulfonylmethoxy]ethane-1,2-diamine
CID 67790048
1-[3,4-bis-(4-methylphenyl)sulfonylbutylsulfonyl]-4-methylbenzene
CID 69003799
methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylmethyl]but-3-enoate
CID 157254302

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol?
The IUPAC name of 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol (CID 147314995) is 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol.
What is the SMILES notation for 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol?
The canonical SMILES for 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol is Cc1ccc(S(=O)(=O)CC(N)CS)cc1.
What is the InChIKey of 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol?
The InChIKey is CYROVUYFDMFSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-8-2-4-10(5-3-8)15(12,13)7-9(11)6-14/h2-5,9,14H,6-7,11H2,1H3.
What are the key properties of 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol?
2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol has a molecular weight of 245.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylphenyl)sulfonylpropane-1-thiol is sourced from PubChem (CID 147314995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).