4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine

C14H22N2OS — CID 62991783

IUPAC4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1cc(CSC2CCOCC2)ccn1
InChIInChI=1S/C14H22N2OS/c1-2-6-15-14-10-12(3-7-16-14)11-18-13-4-8-17-9-5-13/h3,7,10,13H,2,4-6,8-9,11H2,1H3,(H,15,16)
InChIKeyVHKZDVFZLKXAJN-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.32
Rot. Bonds6

About 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine

4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine (PubChem CID 62991783) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine
PubChem CID62991783
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1cc(CSC2CCOCC2)ccn1
InChIInChI=1S/C14H22N2OS/c1-2-6-15-14-10-12(3-7-16-14)11-18-13-4-8-17-9-5-13/h3,7,10,13H,2,4-6,8-9,11H2,1H3,(H,15,16)
InChIKeyVHKZDVFZLKXAJN-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 107756412
4-(butylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62469459
4-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 55139785
4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
N-ethyl-4-(oxan-4-yloxymethyl)pyridin-2-amine
CID 62464799
4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075363
4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55192891
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 63707435
4-(ethylsulfanylmethyl)-N-(oxolan-3-yl)pyridin-2-amine
CID 115777746
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
CID 63501562
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine (CID 62991783) is 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine is CCCNc1cc(CSC2CCOCC2)ccn1.
What is the InChIKey of 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine?
The InChIKey is VHKZDVFZLKXAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-6-15-14-10-12(3-7-16-14)11-18-13-4-8-17-9-5-13/h3,7,10,13H,2,4-6,8-9,11H2,1H3,(H,15,16).
What are the key properties of 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine?
4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine has a molecular weight of 266.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 62991783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).