N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine

C11H17NO2S2 — CID 64626576

IUPACN-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine
SMILESCNC(C)CSc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S2/c1-9(12-2)8-15-10-4-6-11(7-5-10)16(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyXLFORGWHYSVRNJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine

N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine (PubChem CID 64626576) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine
PubChem CID64626576
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine
SMILESCNC(C)CSc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S2/c1-9(12-2)8-15-10-4-6-11(7-5-10)16(3,13)14/h4-7,9,12H,8H2,1-3H3
InChIKeyXLFORGWHYSVRNJ-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-methylsulfonylphenyl)sulfanylpropan-2-ol
CID 106933378
3-(methylamino)-4-(4-methylsulfonylphenyl)sulfanylbutan-1-ol
CID 64929920
3,3-dimethyl-1-(4-methylsulfonylphenyl)sulfanylbutan-2-amine
CID 64625979
2-(methylamino)-4-(4-methylsulfonylphenyl)sulfanylbutan-1-ol
CID 64808217
2-amino-3-(4-methylsulfonylphenyl)sulfanylpropanenitrile
CID 63238056
methyl 2-bromo-3-(4-methylsulfonylphenyl)sulfanylpropanoate
CID 81091513
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)sulfanylethanamine
CID 64628350
2-methyl-N-[2-(4-methylsulfonylphenyl)sulfanylethyl]propan-1-amine
CID 63238895
2-(4-chlorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanol
CID 110885157
4-(4-methylsulfonylphenyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 55174437
N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
CID 64675701
ethyl 2-(ethylamino)-3-(4-methylsulfonylphenyl)sulfanylpropanoate
CID 63238103

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine?
The IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine (CID 64626576) is N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine is CNC(C)CSc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine?
The InChIKey is XLFORGWHYSVRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-9(12-2)8-15-10-4-6-11(7-5-10)16(3,13)14/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine?
N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 64626576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).