2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine

C15H18N2OS — CID 61369423

IUPAC2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine
SMILESCC(C)c1ccc(CS(=O)c2ncccc2N)cc1
InChIInChI=1S/C15H18N2OS/c1-11(2)13-7-5-12(6-8-13)10-19(18)15-14(16)4-3-9-17-15/h3-9,11H,10,16H2,1-2H3
InChIKeyZZKJKZWUTBLPQK-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.10
Rot. Bonds4

About 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine

2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine (PubChem CID 61369423) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine
PubChem CID61369423
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine
SMILESCC(C)c1ccc(CS(=O)c2ncccc2N)cc1
InChIInChI=1S/C15H18N2OS/c1-11(2)13-7-5-12(6-8-13)10-19(18)15-14(16)4-3-9-17-15/h3-9,11H,10,16H2,1-2H3
InChIKeyZZKJKZWUTBLPQK-UHFFFAOYSA-N
XLogP3.10
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
CID 65476330
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
CID 61368096
2-(quinolin-6-ylmethylsulfinyl)pyridin-3-amine
CID 61369413
2-(2,2-difluoroethylsulfinyl)pyridin-3-amine
CID 61367922
2-fluoro-4-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81191175
2-pentylsulfinylpyridin-3-amine
CID 61369597
4-bromo-2-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81206517
2-[(3-amino-2-pyridinyl)sulfinyl]-N-(1-methoxypropan-2-yl)acetamide
CID 54957221
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81201044
2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine
CID 63737087
1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 82730236
2-(3-phenoxypropylsulfinyl)pyridin-3-amine
CID 62937847

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine (CID 61369423) is 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine is CC(C)c1ccc(CS(=O)c2ncccc2N)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine?
The InChIKey is ZZKJKZWUTBLPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(2)13-7-5-12(6-8-13)10-19(18)15-14(16)4-3-9-17-15/h3-9,11H,10,16H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine?
2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 61369423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).