(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine

C12H19N3S — CID 106444518

IUPAC(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCc1ccncc1C(N)C1CSCCN1C
InChIInChI=1S/C12H19N3S/c1-9-3-4-14-7-10(9)12(13)11-8-16-6-5-15(11)2/h3-4,7,11-12H,5-6,8,13H2,1-2H3
InChIKeyZQSIXBRZXJBSND-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.44
Rot. Bonds2

About (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine

(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine (PubChem CID 106444518) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
PubChem CID106444518
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine
SMILESCc1ccncc1C(N)C1CSCCN1C
InChIInChI=1S/C12H19N3S/c1-9-3-4-14-7-10(9)12(13)11-8-16-6-5-15(11)2/h3-4,7,11-12H,5-6,8,13H2,1-2H3
InChIKeyZQSIXBRZXJBSND-UHFFFAOYSA-N
XLogP1.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444597
3-[hydrazinyl-(4-methylthiomorpholin-3-yl)methyl]pyridin-4-amine
CID 106446429
(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 103595870
(4-methylthiomorpholin-3-yl)-naphthalen-1-ylmethanamine
CID 106444468
(4-ethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444378
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanamine
CID 107360379
(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106681022
(3,4-diethoxyphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106444388
1-(4-methylthiomorpholin-3-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106444379
(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595651
[(5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446255
N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine?
The IUPAC name of (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine (CID 106444518) is (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine.
What is the SMILES notation for (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine?
The canonical SMILES for (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine is Cc1ccncc1C(N)C1CSCCN1C.
What is the InChIKey of (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine?
The InChIKey is ZQSIXBRZXJBSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-3-4-14-7-10(9)12(13)11-8-16-6-5-15(11)2/h3-4,7,11-12H,5-6,8,13H2,1-2H3.
What are the key properties of (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine?
(4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine has a molecular weight of 237.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanamine is sourced from PubChem (CID 106444518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).