1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine

C15H19NO2S3 — CID 63237953

IUPAC1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(C(Sc2ccc(S(C)(=O)=O)cc2)C(C)N)s1
InChIInChI=1S/C15H19NO2S3/c1-10-4-9-14(19-10)15(11(2)16)20-12-5-7-13(8-6-12)21(3,17)18/h4-9,11,15H,16H2,1-3H3
InChIKeyFIJHLGXPAJUXSF-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine

1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 63237953) has the molecular formula C15H19NO2S3 and a molecular weight of 341.52 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID63237953
Molecular FormulaC15H19NO2S3
Molecular Weight341.52 g/mol
Exact Mass341.06
IUPAC Name1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(C(Sc2ccc(S(C)(=O)=O)cc2)C(C)N)s1
InChIInChI=1S/C15H19NO2S3/c1-10-4-9-14(19-10)15(11(2)16)20-12-5-7-13(8-6-12)21(3,17)18/h4-9,11,15H,16H2,1-3H3
InChIKeyFIJHLGXPAJUXSF-UHFFFAOYSA-N
XLogP3.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198043
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
1-(4-methylsulfonylphenyl)sulfanyl-1-pyridin-3-ylpropan-2-amine
CID 63238084
1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 107779770
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
3-(4-methylsulfonylphenyl)sulfanylbutan-2-one
CID 62403648
2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine
CID 63238348
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)sulfanylethanamine
CID 64628350
1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide
CID 106050246
(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanone
CID 43338791
3-(4-methylsulfonylphenyl)sulfanylpentan-1-amine
CID 63238314
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
CID 115478382

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine (CID 63237953) is 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine is Cc1ccc(C(Sc2ccc(S(C)(=O)=O)cc2)C(C)N)s1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is FIJHLGXPAJUXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S3/c1-10-4-9-14(19-10)15(11(2)16)20-12-5-7-13(8-6-12)21(3,17)18/h4-9,11,15H,16H2,1-3H3.
What are the key properties of 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine?
1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 341.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 63237953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).