5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine

C9H12N2OS — CID 79326602

IUPAC5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine
SMILESCc1cnc(SC2COC2)c(N)c1
InChIInChI=1S/C9H12N2OS/c1-6-2-8(10)9(11-3-6)13-7-4-12-5-7/h2-3,7H,4-5,10H2,1H3
InChIKeyVRSABKBVCJQEGY-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.46
Rot. Bonds2

About 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine

5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine (PubChem CID 79326602) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine
PubChem CID79326602
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine
SMILESCc1cnc(SC2COC2)c(N)c1
InChIInChI=1S/C9H12N2OS/c1-6-2-8(10)9(11-3-6)13-7-4-12-5-7/h2-3,7H,4-5,10H2,1H3
InChIKeyVRSABKBVCJQEGY-UHFFFAOYSA-N
XLogP1.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)sulfanylpyridin-3-amine
CID 902017
6-(Methylsulfanyl)pyridin-3-amine
CID 10261179
2-(Ethylsulfanyl)-3-nitro-5-methylpyridine
CID 827566
5-Methyl-6-(methylsulfonyl)pyridin-3-amine
CID 62476760
6-(Ethylsulfanyl)pyridin-3-amine
CID 21288004
6-[(4-Fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 21114541
6-(Benzylthio)-5-(trifluoromethyl)pyridin-3-amine
CID 67172543
2-Benzylsulfanyl-5-fluoropyridin-3-amine
CID 89781012
6-(Methylthio)-5-(trifluoromethyl)pyridin-3-amine
CID 131217692
2-[3-(4-Fluorophenyl)propylsulfanyl]pyridin-3-amine
CID 141623757
(Z)-3-fluoro-4-[(3-methyl-2-pyridinyl)sulfanyl]but-2-en-1-amine
CID 146355777
6-(1-oxo-4,5-dihydro-3H-1,2-thiazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine
CID 170013190

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine (CID 79326602) is 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine is Cc1cnc(SC2COC2)c(N)c1.
What is the InChIKey of 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine?
The InChIKey is VRSABKBVCJQEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-2-8(10)9(11-3-6)13-7-4-12-5-7/h2-3,7H,4-5,10H2,1H3.
What are the key properties of 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine?
5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine has a molecular weight of 196.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 79326602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).