2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine

C12H18N2OS — CID 107748264

IUPAC2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine
SMILESCC1OCCC1SC(CN)c1ccncc1
InChIInChI=1S/C12H18N2OS/c1-9-11(4-7-15-9)16-12(8-13)10-2-5-14-6-3-10/h2-3,5-6,9,11-12H,4,7-8,13H2,1H3
InChIKeyUHWDLHJBGKDGMD-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine

2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine (PubChem CID 107748264) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine
PubChem CID107748264
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine
SMILESCC1OCCC1SC(CN)c1ccncc1
InChIInChI=1S/C12H18N2OS/c1-9-11(4-7-15-9)16-12(8-13)10-2-5-14-6-3-10/h2-3,5-6,9,11-12H,4,7-8,13H2,1H3
InChIKeyUHWDLHJBGKDGMD-UHFFFAOYSA-N
XLogP1.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
CID 63115195
1-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 107748221
[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
CID 107751932
N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 107762569
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940
2-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
CID 107747529
(1R)-1-[5-(2-methyloxolan-3-yl)sulfanyl-2-pyridinyl]propan-1-amine
CID 107750568
1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine
CID 107762287
N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750520
2-chloro-3-[(2-methyloxolan-3-yl)sulfanylmethyl]pyridine
CID 103847343
N-ethyl-3-methyl-2-(2-methyloxolan-3-yl)sulfanyl-1-phenylbutan-1-amine
CID 107762768
N-methyl-N-(2-methyloxolan-3-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 82732511

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine (CID 107748264) is 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine is CC1OCCC1SC(CN)c1ccncc1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine?
The InChIKey is UHWDLHJBGKDGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-11(4-7-15-9)16-12(8-13)10-2-5-14-6-3-10/h2-3,5-6,9,11-12H,4,7-8,13H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine?
2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine has a molecular weight of 238.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfanyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 107748264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).