N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine

C12H19N3O2S2 — CID 81247525

IUPACN-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H19N3O2S2/c1-13-7-10-8-14-4-3-11(10)15-5-6-18-9-12(15)19(2,16)17/h3-4,8,12-13H,5-7,9H2,1-2H3
InChIKeyWYKPLZLNAWNZSU-UHFFFAOYSA-N
MW301.44 g/mol
LogP0.72
Rot. Bonds4

About N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine

N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine (PubChem CID 81247525) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine
PubChem CID81247525
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnccc1N1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H19N3O2S2/c1-13-7-10-8-14-4-3-11(10)15-5-6-18-9-12(15)19(2,16)17/h3-4,8,12-13H,5-7,9H2,1-2H3
InChIKeyWYKPLZLNAWNZSU-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(chloromethyl)-4-pyridinyl]-3-methylsulfonylthiomorpholine
CID 81233805
N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074134
1-[4-bromo-2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 66381833
[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66372294
1-[3,5-difluoro-4-(3-methylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 66383964
N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106962731
1-[5-chloro-2-(3-ethylsulfonylthiomorpholin-4-yl)phenyl]-N-methylmethanamine
CID 114852258
1-[2-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorophenyl]-N-methylmethanamine
CID 66377712
2-(3-methylsulfonylthiomorpholin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 66382265
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81246932
N-[[6-(3-methylsulfonylthiomorpholin-4-yl)pyridazin-3-yl]methyl]propan-2-amine
CID 66383798
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
CID 66383257

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine (CID 81247525) is N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine is CNCc1cnccc1N1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine?
The InChIKey is WYKPLZLNAWNZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-13-7-10-8-14-4-3-11(10)15-5-6-18-9-12(15)19(2,16)17/h3-4,8,12-13H,5-7,9H2,1-2H3.
What are the key properties of N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine?
N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine has a molecular weight of 301.44 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81247525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).