N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine

C12H19N3O2S2 — CID 79230716

IUPACN-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
SMILESCNc1cccc(CN2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C12H19N3O2S2/c1-13-11-5-3-4-10(14-11)8-15-6-7-18-9-12(15)19(2,16)17/h3-5,12H,6-9H2,1-2H3,(H,13,14)
InChIKeyMDFHVXHVJADLAC-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.04
Rot. Bonds4

About N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine

N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine (PubChem CID 79230716) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
PubChem CID79230716
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
SMILESCNc1cccc(CN2CCSCC2S(C)(=O)=O)n1
InChIInChI=1S/C12H19N3O2S2/c1-13-11-5-3-4-10(14-11)8-15-6-7-18-9-12(15)19(2,16)17/h3-5,12H,6-9H2,1-2H3,(H,13,14)
InChIKeyMDFHVXHVJADLAC-UHFFFAOYSA-N
XLogP1.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine (CID 79230716) is N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine is CNc1cccc(CN2CCSCC2S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine?
The InChIKey is MDFHVXHVJADLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-13-11-5-3-4-10(14-11)8-15-6-7-18-9-12(15)19(2,16)17/h3-5,12H,6-9H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine?
N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine has a molecular weight of 301.44 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79230716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).