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

C12H19N3O2S2 — CID 66383594

IUPACN-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H19N3O2S2/c1-13-12-10(4-3-5-14-12)8-15-6-7-18-9-11(15)19(2,16)17/h3-5,11H,6-9H2,1-2H3,(H,13,14)
InChIKeyBZDMTPLQCKHSAV-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.04
Rot. Bonds4

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

N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine (PubChem CID 66383594) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
PubChem CID66383594
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine
SMILESCNc1ncccc1CN1CCSCC1S(C)(=O)=O
InChIInChI=1S/C12H19N3O2S2/c1-13-12-10(4-3-5-14-12)8-15-6-7-18-9-11(15)19(2,16)17/h3-5,11H,6-9H2,1-2H3,(H,13,14)
InChIKeyBZDMTPLQCKHSAV-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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Related Compounds

5-(Isopropylsulfonyl)-2-(3-pyridyl)pyrimidin-4-amine
CID 2778658
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CID 1488239
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2-(Tert-butylsulfonyl)-3-(2-pyridylamino)acrylonitrile
CID 2819486
3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)pyridin-2-amine
CID 2968945
1-Propylsulfonyl-4-(2-pyridinyl)piperazine
CID 888610
N-(5-methylpyridin-2-yl)-1-phenylmethanesulfonamide
CID 759581
N-(5-methylpyridin-2-yl)butane-1-sulfonamide
CID 2094153
4-(Ethylsulfonyl)-1-(2-pyridyl)piperazine
CID 4536240
(E)-2-propylsulfonyl-3-(pyridin-2-ylamino)prop-2-enenitrile
CID 2819483
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 17456582
N-benzyl-N-methyl-3-[(tetrahydro-2H-thiopyran-4-ylamino)methyl]-2-pyridinamine
CID 26325882

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine (CID 66383594) is N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine is CNc1ncccc1CN1CCSCC1S(C)(=O)=O.
What is the InChIKey of N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine?
The InChIKey is BZDMTPLQCKHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-13-12-10(4-3-5-14-12)8-15-6-7-18-9-11(15)19(2,16)17/h3-5,11H,6-9H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine?
N-methyl-3-[(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-3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 66383594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).