N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine

C12H21N3S — CID 105175075

IUPACN-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1(C)CCCS1
InChIInChI=1S/C12H21N3S/c1-12(6-4-8-16-12)11(13-2)9-10-5-7-15(3)14-10/h5,7,11,13H,4,6,8-9H2,1-3H3
InChIKeyVRIYVWBWQWHBNC-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine

N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 105175075) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID105175075
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine
SMILESCNC(Cc1ccn(C)n1)C1(C)CCCS1
InChIInChI=1S/C12H21N3S/c1-12(6-4-8-16-12)11(13-2)9-10-5-7-15(3)14-10/h5,7,11,13H,4,6,8-9H2,1-3H3
InChIKeyVRIYVWBWQWHBNC-UHFFFAOYSA-N
XLogP1.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105121142
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105153637
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-phenylcyclobutyl)ethanamine
CID 82877218
N-methyl-2-(2-methyltetrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanamine
CID 107065238
N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine
CID 103134725
N-methyl-2-(1-methylpyrazol-3-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanamine
CID 82869589
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770
N-methyl-1-(3-methyl-1-adamantyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025270
[1-(2-methyloxan-2-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105256099
1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828785
N-methyl-1-(2-methylthiolan-2-yl)-2-quinolin-4-ylethanamine
CID 105159328
[2-(1-methylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242808

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine (CID 105175075) is N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine is CNC(Cc1ccn(C)n1)C1(C)CCCS1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is VRIYVWBWQWHBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(6-4-8-16-12)11(13-2)9-10-5-7-15(3)14-10/h5,7,11,13H,4,6,8-9H2,1-3H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine?
N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 105175075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).