1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine

C15H24N2O2S2 — CID 66382944

IUPAC1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine
SMILESCc1ccccc1C(C(C)N)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S2/c1-11-6-4-5-7-13(11)15(12(2)16)17-8-9-20-10-14(17)21(3,18)19/h4-7,12,14-15H,8-10,16H2,1-3H3
InChIKeyXLHBXXVPXDPQNR-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.80
Rot. Bonds4

About 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine

1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine (PubChem CID 66382944) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine
PubChem CID66382944
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine
SMILESCc1ccccc1C(C(C)N)N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C15H24N2O2S2/c1-11-6-4-5-7-13(11)15(12(2)16)17-8-9-20-10-14(17)21(3,18)19/h4-7,12,14-15H,8-10,16H2,1-3H3
InChIKeyXLHBXXVPXDPQNR-UHFFFAOYSA-N
XLogP1.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine (CID 66382944) is 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine is Cc1ccccc1C(C(C)N)N1CCSCC1S(C)(=O)=O.
What is the InChIKey of 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine?
The InChIKey is XLHBXXVPXDPQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-11-6-4-5-7-13(11)15(12(2)16)17-8-9-20-10-14(17)21(3,18)19/h4-7,12,14-15H,8-10,16H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine?
1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine has a molecular weight of 328.50 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-(3-methylsulfonylthiomorpholin-4-yl)propan-2-amine is sourced from PubChem (CID 66382944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).