4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine

C14H17N3O2S2 — CID 103963434

IUPAC4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine
SMILESCS(=O)(=O)C1CSCCN1c1c(N)cnc2ccccc12
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)13-9-20-7-6-17(13)14-10-4-2-3-5-12(10)16-8-11(14)15/h2-5,8,13H,6-7,9,15H2,1H3
InChIKeyDZIMNGUDLUJBAB-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.74
Rot. Bonds2

About 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine

4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine (PubChem CID 103963434) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine.

Molecular Properties

Compound Name4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine
PubChem CID103963434
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine
SMILESCS(=O)(=O)C1CSCCN1c1c(N)cnc2ccccc12
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)13-9-20-7-6-17(13)14-10-4-2-3-5-12(10)16-8-11(14)15/h2-5,8,13H,6-7,9,15H2,1H3
InChIKeyDZIMNGUDLUJBAB-UHFFFAOYSA-N
XLogP1.74
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylsulfonylthiomorpholin-4-yl)pyrimidin-5-amine
CID 79915838
5-bromo-4-methyl-6-(3-methylsulfonylthiomorpholin-4-yl)pyridin-3-amine
CID 104506988
4-(3-methylsulfonylthiomorpholin-4-yl)quinazolin-6-amine
CID 66382775
6-(3-methylsulfonylthiomorpholin-4-yl)pyrazin-2-amine
CID 80648375
[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]methanamine
CID 66372294
4-(6-bromo-2-pyridinyl)-3-methylsulfonylthiomorpholine
CID 66383475
5-methylsulfonyl-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 66383352
4-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)aniline
CID 113315817
1-[2-(3-methylsulfonylthiomorpholin-4-yl)phenyl]ethanamine
CID 66382401
1-(3-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103962898
3-(3-methylsulfonylthiomorpholin-4-yl)-2-nitroaniline
CID 80850470
1-[6-(3-methylsulfonylthiomorpholin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634904

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine?
The IUPAC name of 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine (CID 103963434) is 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine.
What is the SMILES notation for 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine?
The canonical SMILES for 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine is CS(=O)(=O)C1CSCCN1c1c(N)cnc2ccccc12.
What is the InChIKey of 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine?
The InChIKey is DZIMNGUDLUJBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-21(18,19)13-9-20-7-6-17(13)14-10-4-2-3-5-12(10)16-8-11(14)15/h2-5,8,13H,6-7,9,15H2,1H3.
What are the key properties of 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine?
4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine has a molecular weight of 323.44 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylthiomorpholin-4-yl)quinolin-3-amine is sourced from PubChem (CID 103963434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).