4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine

C14H22N2OS — CID 107756412

IUPAC4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CSC2CCOC2C)ccn1
InChIInChI=1S/C14H22N2OS/c1-3-6-15-14-9-12(4-7-16-14)10-18-13-5-8-17-11(13)2/h4,7,9,11,13H,3,5-6,8,10H2,1-2H3,(H,15,16)
InChIKeyXSNHYIRFXVMHQJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.31
Rot. Bonds6

About 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine

4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 107756412) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID107756412
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CSC2CCOC2C)ccn1
InChIInChI=1S/C14H22N2OS/c1-3-6-15-14-9-12(4-7-16-14)10-18-13-5-8-17-11(13)2/h4,7,9,11,13H,3,5-6,8,10H2,1-2H3,(H,15,16)
InChIKeyXSNHYIRFXVMHQJ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-4-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62991783
4-(butylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62469459
4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62469641
4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075363
5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 107765164
4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55192891
3-[(2-methyloxolan-3-yl)sulfanylmethyl]benzoic acid
CID 107746125
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine
CID 103847343
3-[[(2R,3S)-2-methyloxolan-3-yl]sulfanylmethyl]benzamide
CID 97326732
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
CID 63501562

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 107756412) is 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1cc(CSC2CCOC2C)ccn1.
What is the InChIKey of 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is XSNHYIRFXVMHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-6-15-14-9-12(4-7-16-14)10-18-13-5-8-17-11(13)2/h4,7,9,11,13H,3,5-6,8,10H2,1-2H3,(H,15,16).
What are the key properties of 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine?
4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 266.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyloxolan-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 107756412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).