1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine

C15H21N3S2 — CID 79965394

IUPAC1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
SMILESCNC(Cc1nn(C)c2ccccc12)C1CSCCS1
InChIInChI=1S/C15H21N3S2/c1-16-13(15-10-19-7-8-20-15)9-12-11-5-3-4-6-14(11)18(2)17-12/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyDBMQXYVBXFMVDK-UHFFFAOYSA-N
MW307.49 g/mol
LogP2.55
Rot. Bonds4

About 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine

1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine (PubChem CID 79965394) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
PubChem CID79965394
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
SMILESCNC(Cc1nn(C)c2ccccc12)C1CSCCS1
InChIInChI=1S/C15H21N3S2/c1-16-13(15-10-19-7-8-20-15)9-12-11-5-3-4-6-14(11)18(2)17-12/h3-6,13,15-16H,7-10H2,1-2H3
InChIKeyDBMQXYVBXFMVDK-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine (CID 79965394) is 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine is CNC(Cc1nn(C)c2ccccc12)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine?
The InChIKey is DBMQXYVBXFMVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-16-13(15-10-19-7-8-20-15)9-12-11-5-3-4-6-14(11)18(2)17-12/h3-6,13,15-16H,7-10H2,1-2H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine?
1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine has a molecular weight of 307.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 79965394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).