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

C15H21N3O2S — CID 115336622

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
SMILESCNC(Cc1nn(C)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O2S/c1-16-13(11-7-8-21(19,20)10-11)9-14-12-5-3-4-6-15(12)18(2)17-14/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyLCQJMIPBEPBUEF-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.14
Rot. Bonds4

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

1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine (PubChem CID 115336622) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
PubChem CID115336622
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
SMILESCNC(Cc1nn(C)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H21N3O2S/c1-16-13(11-7-8-21(19,20)10-11)9-14-12-5-3-4-6-15(12)18(2)17-14/h3-6,11,13,16H,7-10H2,1-2H3
InChIKeyLCQJMIPBEPBUEF-UHFFFAOYSA-N
XLogP1.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 66025406
1-(1,4-dithian-2-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 79965394
1-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 115336770
4-[2-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethyl]phenol
CID 115336672
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 55128835
[1-(1,1-dioxothiolan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 105258950
[2-(1-methylindazol-3-yl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105318163
N-[3-methyl-4-(1-methylindazol-3-yl)butyl]cyclopropanamine
CID 81018955
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine
CID 105001238
2-(2,5-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 115336742

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine (CID 115336622) is 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine is CNC(Cc1nn(C)c2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine?
The InChIKey is LCQJMIPBEPBUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-16-13(11-7-8-21(19,20)10-11)9-14-12-5-3-4-6-15(12)18(2)17-14/h3-6,11,13,16H,7-10H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine?
1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine has a molecular weight of 307.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 115336622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).