2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine

C13H18N4OS — CID 64779032

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine
SMILESCCC(C)n1ccc(CS(=O)c2ncccc2N)n1
InChIInChI=1S/C13H18N4OS/c1-3-10(2)17-8-6-11(16-17)9-19(18)13-12(14)5-4-7-15-13/h4-8,10H,3,9,14H2,1-2H3
InChIKeyZVBCDJDDRSTZJB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.14
Rot. Bonds5

About 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine

2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine (PubChem CID 64779032) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine
PubChem CID64779032
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine
SMILESCCC(C)n1ccc(CS(=O)c2ncccc2N)n1
InChIInChI=1S/C13H18N4OS/c1-3-10(2)17-8-6-11(16-17)9-19(18)13-12(14)5-4-7-15-13/h4-8,10H,3,9,14H2,1-2H3
InChIKeyZVBCDJDDRSTZJB-UHFFFAOYSA-N
XLogP2.14
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-butan-2-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 64777550
4-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]-3-chloroaniline
CID 81181639
2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine
CID 61369423
4-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]benzoic acid
CID 64777067
5-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]furan-2-carboxylic acid
CID 64777263
2-pentylsulfinylpyridin-3-amine
CID 61369597
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
2-(2,2-difluoroethylsulfinyl)pyridin-3-amine
CID 61367922
2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
CID 65476330
2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
CID 61369062
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105154650
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
CID 61368096

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine (CID 64779032) is 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine is CCC(C)n1ccc(CS(=O)c2ncccc2N)n1.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine?
The InChIKey is ZVBCDJDDRSTZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-10(2)17-8-6-11(16-17)9-19(18)13-12(14)5-4-7-15-13/h4-8,10H,3,9,14H2,1-2H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine?
2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine has a molecular weight of 278.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 64779032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).