N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine

C10H19N3OS — CID 103002139

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine
SMILESCC(CS(C)=O)NCCc1ccnn1C
InChIInChI=1S/C10H19N3OS/c1-9(8-15(3)14)11-6-4-10-5-7-12-13(10)2/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyMEHLXNAQDFMLBX-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.32
Rot. Bonds6

About N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine (PubChem CID 103002139) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine
PubChem CID103002139
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine
SMILESCC(CS(C)=O)NCCc1ccnn1C
InChIInChI=1S/C10H19N3OS/c1-9(8-15(3)14)11-6-4-10-5-7-12-13(10)2/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyMEHLXNAQDFMLBX-UHFFFAOYSA-N
XLogP0.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 113442346
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-3-amine
CID 104694997
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103005493
1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine
CID 103020461
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2-[2-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 103000916
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
CID 104693858

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine (CID 103002139) is N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine is CC(CS(C)=O)NCCc1ccnn1C.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine?
The InChIKey is MEHLXNAQDFMLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-9(8-15(3)14)11-6-4-10-5-7-12-13(10)2/h5,7,9,11H,4,6,8H2,1-3H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine has a molecular weight of 229.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine is sourced from PubChem (CID 103002139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).