4-methylsulfanyl-2-propan-2-ylpyridin-3-amine

C9H14N2S — CID 155344987

IUPAC4-methylsulfanyl-2-propan-2-ylpyridin-3-amine
SMILESCSc1ccnc(C(C)C)c1N
InChIInChI=1S/C9H14N2S/c1-6(2)9-8(10)7(12-3)4-5-11-9/h4-6H,10H2,1-3H3
InChIKeyBFZUOEGHALWJQA-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.51
Rot. Bonds2

About 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine

4-methylsulfanyl-2-propan-2-ylpyridin-3-amine (PubChem CID 155344987) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name4-methylsulfanyl-2-propan-2-ylpyridin-3-amine
PubChem CID155344987
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-methylsulfanyl-2-propan-2-ylpyridin-3-amine
SMILESCSc1ccnc(C(C)C)c1N
InChIInChI=1S/C9H14N2S/c1-6(2)9-8(10)7(12-3)4-5-11-9/h4-6H,10H2,1-3H3
InChIKeyBFZUOEGHALWJQA-UHFFFAOYSA-N
XLogP2.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-propan-2-ylpyridin-3-amine
CID 134168279
3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
4-methoxy-2-propan-2-ylpyridin-3-amine
CID 134168287
5-propan-2-yl-2,6-naphthyridin-1-amine
CID 163390323
4-cyclopropyl-2-propan-2-ylpyridin-3-amine
CID 134168281
4-[(dimethylamino)methyl]-2-propan-2-ylpyridin-3-amine
CID 166870493
2,3-di(propan-2-yl)pyridin-4-amine
CID 162512202
3-chloro-2-propan-2-ylpyridin-4-amine
CID 54425054
4-(1,1,3,3,3-pentadeuterioprop-1-en-2-yl)-2-propan-2-ylpyridin-3-amine
CID 168724621
1,8-di(propan-2-yl)-2,7-naphthyridine
CID 170669033
4-methylsulfanyl-3-(trifluoromethyl)pyridin-2-amine
CID 118248035
4-bromo-3-fluoro-2-propan-2-ylpyridine
CID 130153363

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine?
The IUPAC name of 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine (CID 155344987) is 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine?
The canonical SMILES for 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine is CSc1ccnc(C(C)C)c1N.
What is the InChIKey of 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine?
The InChIKey is BFZUOEGHALWJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6(2)9-8(10)7(12-3)4-5-11-9/h4-6H,10H2,1-3H3.
What are the key properties of 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine?
4-methylsulfanyl-2-propan-2-ylpyridin-3-amine has a molecular weight of 182.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 155344987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).