[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine

C13H20N2OS — CID 107751923

IUPAC[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(SC2CCOC2C)n1
InChIInChI=1S/C13H20N2OS/c1-8-6-9(2)15-13(11(8)7-14)17-12-4-5-16-10(12)3/h6,10,12H,4-5,7,14H2,1-3H3
InChIKeySXYJYNJSMBXTLV-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.43
Rot. Bonds3

About [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine

[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 107751923) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine
PubChem CID107751923
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(SC2CCOC2C)n1
InChIInChI=1S/C13H20N2OS/c1-8-6-9(2)15-13(11(8)7-14)17-12-4-5-16-10(12)3/h6,10,12H,4-5,7,14H2,1-3H3
InChIKeySXYJYNJSMBXTLV-UHFFFAOYSA-N
XLogP2.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
CID 107751932
2-methyl-4-(2-methyloxolan-3-yl)sulfanylquinolin-6-amine
CID 107747606
2-methyl-4-(2-methyloxolan-3-yl)sulfanylbenzoic acid
CID 107747190
2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine
CID 107750991
(4,6-dimethyl-2-pentylsulfanyl-3-pyridinyl)methanamine
CID 107751975
[4,6-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 61176139
[4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 61219519
[4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine
CID 107781025
5-ethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765165
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940
4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine
CID 107751016
5-fluoro-4-methyl-2-(2-methyloxolan-3-yl)sulfanylaniline
CID 107747628

Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine (CID 107751923) is [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(SC2CCOC2C)n1.
What is the InChIKey of [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is SXYJYNJSMBXTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-6-9(2)15-13(11(8)7-14)17-12-4-5-16-10(12)3/h6,10,12H,4-5,7,14H2,1-3H3.
What are the key properties of [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine?
[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 252.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine is sourced from PubChem (CID 107751923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).