1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine

C9H17N3OS — CID 103020461

IUPAC1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine
SMILESCC(N)CS(=O)CCc1ccnn1C
InChIInChI=1S/C9H17N3OS/c1-8(10)7-14(13)6-4-9-3-5-11-12(9)2/h3,5,8H,4,6-7,10H2,1-2H3
InChIKeyULXGPLGGTAURJF-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.06
Rot. Bonds5

About 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine

1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine (PubChem CID 103020461) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine
PubChem CID103020461
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine
SMILESCC(N)CS(=O)CCc1ccnn1C
InChIInChI=1S/C9H17N3OS/c1-8(10)7-14(13)6-4-9-3-5-11-12(9)2/h3,5,8H,4,6-7,10H2,1-2H3
InChIKeyULXGPLGGTAURJF-UHFFFAOYSA-N
XLogP0.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
methyl 3-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]butanoate
CID 103013336
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-methylsulfinylpropan-2-amine
CID 103002139
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
CID 103015071
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
3-(aminomethyl)-3-methyl-5-(2-methylpyrazol-3-yl)pentan-2-ol
CID 103017437
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014913

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine (CID 103020461) is 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine is CC(N)CS(=O)CCc1ccnn1C.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine?
The InChIKey is ULXGPLGGTAURJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-8(10)7-14(13)6-4-9-3-5-11-12(9)2/h3,5,8H,4,6-7,10H2,1-2H3.
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine?
1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine has a molecular weight of 215.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine is sourced from PubChem (CID 103020461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).