6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine

C10H14N2O2S — CID 43301045

IUPAC6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SCC2CCOCO2)nc1
InChIInChI=1S/C10H14N2O2S/c11-8-1-2-10(12-5-8)15-6-9-3-4-13-7-14-9/h1-2,5,9H,3-4,6-7,11H2
InChIKeyPXVLNANCRLGDPX-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.52
Rot. Bonds3

About 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine

6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine (PubChem CID 43301045) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine
PubChem CID43301045
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine
SMILESNc1ccc(SCC2CCOCO2)nc1
InChIInChI=1S/C10H14N2O2S/c11-8-1-2-10(12-5-8)15-6-9-3-4-13-7-14-9/h1-2,5,9H,3-4,6-7,11H2
InChIKeyPXVLNANCRLGDPX-UHFFFAOYSA-N
XLogP1.52
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 43301504
6-[3-(oxolan-2-yl)propylsulfanyl]pyridin-3-amine
CID 65160816
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)pyridin-3-amine
CID 43301150
3-(1,3-dioxan-4-ylmethylsulfanyl)-2-methylaniline
CID 79144478
2-(1,3-dioxan-4-ylmethylsulfanyl)-4-methylaniline
CID 79142122
6-(oxolan-3-ylsulfanyl)pyridin-3-amine
CID 63558770
5-[(5-amino-2-pyridinyl)sulfanylmethyl]pyrrolidin-2-one
CID 107530231
3-chloro-2-(1,3-dioxan-4-ylmethylsulfanyl)aniline
CID 43304493
6-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]pyridin-3-amine
CID 66361759
6-(2-fluoroethylsulfanyl)pyridin-3-amine
CID 80694256
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447
4-[5-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 7895131

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine?
The IUPAC name of 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine (CID 43301045) is 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine is Nc1ccc(SCC2CCOCO2)nc1.
What is the InChIKey of 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine?
The InChIKey is PXVLNANCRLGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-8-1-2-10(12-5-8)15-6-9-3-4-13-7-14-9/h1-2,5,9H,3-4,6-7,11H2.
What are the key properties of 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine?
6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine has a molecular weight of 226.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxan-4-ylmethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 43301045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).