1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine

C10H19N3OS — CID 81188225

IUPAC1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)Cc1cnn(CC)c1
InChIInChI=1S/C10H19N3OS/c1-3-10(11)8-15(14)7-9-5-12-13(4-2)6-9/h5-6,10H,3-4,7-8,11H2,1-2H3
InChIKeyQMYBBIFNOAMFOO-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.89
Rot. Bonds6

About 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine

1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine (PubChem CID 81188225) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine
PubChem CID81188225
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)Cc1cnn(CC)c1
InChIInChI=1S/C10H19N3OS/c1-3-10(11)8-15(14)7-9-5-12-13(4-2)6-9/h5-6,10H,3-4,7-8,11H2,1-2H3
InChIKeyQMYBBIFNOAMFOO-UHFFFAOYSA-N
XLogP0.89
TPSA60.91 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
4-[(1-ethylpyrazol-4-yl)methylsulfinyl]-3,5-difluoroaniline
CID 55040342
1,4-diethylpyrazole;ethane
CID 143641951
3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butan-1-amine
CID 81195208
4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid
CID 103570661
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylsulfinyl]butan-2-amine
CID 81189503
1-(1-ethylpyrazol-4-yl)-3-propylsulfanylpropan-2-amine
CID 65128491
3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol
CID 116711224
1-[(2,4,6-trimethylphenyl)methylsulfinyl]butan-2-amine
CID 81188470
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine (CID 81188225) is 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine is CCC(N)CS(=O)Cc1cnn(CC)c1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine?
The InChIKey is QMYBBIFNOAMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-10(11)8-15(14)7-9-5-12-13(4-2)6-9/h5-6,10H,3-4,7-8,11H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine?
1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine has a molecular weight of 229.35 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methylsulfinyl]butan-2-amine is sourced from PubChem (CID 81188225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).