[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol

C16H26N2O3S — CID 139756453

IUPAC[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol
SMILESCc1c(SCCOCCCN2CCOCC2)ccnc1CO
InChIInChI=1S/C16H26N2O3S/c1-14-15(13-19)17-4-3-16(14)22-12-11-20-8-2-5-18-6-9-21-10-7-18/h3-4,19H,2,5-13H2,1H3
InChIKeyTYCGCHKSYJCYAV-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.71
Rot. Bonds9

About [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol

[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol (PubChem CID 139756453) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol
PubChem CID139756453
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol
SMILESCc1c(SCCOCCCN2CCOCC2)ccnc1CO
InChIInChI=1S/C16H26N2O3S/c1-14-15(13-19)17-4-3-16(14)22-12-11-20-8-2-5-18-6-9-21-10-7-18/h3-4,19H,2,5-13H2,1H3
InChIKeyTYCGCHKSYJCYAV-UHFFFAOYSA-N
XLogP1.71
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-ethylsulfanyl-3-methyl-2-pyridinyl)methanol
CID 14076694
[3-methyl-4-(4-sulfanylbutylsulfanyl)-2-pyridinyl]methanol
CID 54072597
[3-methyl-4-(3-piperazin-1-ylpropylsulfanyl)-2-pyridinyl]methanamine
CID 142646076
4-[4-(4-methylphenyl)sulfanylbutyl]morpholine chloride
CID 53351645
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
[8-[[2-methyl-3-[2-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]phenyl]methyl]-1,7-naphthyridin-3-yl]methanol
CID 159301311
4-[2-[3-(chloromethyl)-2-methylphenyl]sulfanylethyl]morpholine
CID 10968097
4-[2-(4-methylphenyl)sulfanylethyl]morpholine
CID 21317501
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16813118
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol?
The IUPAC name of [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol (CID 139756453) is [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol?
The canonical SMILES for [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol is Cc1c(SCCOCCCN2CCOCC2)ccnc1CO.
What is the InChIKey of [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol?
The InChIKey is TYCGCHKSYJCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-14-15(13-19)17-4-3-16(14)22-12-11-20-8-2-5-18-6-9-21-10-7-18/h3-4,19H,2,5-13H2,1H3.
What are the key properties of [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol?
[3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol has a molecular weight of 326.46 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[2-(3-morpholin-4-ylpropoxy)ethylsulfanyl]-2-pyridinyl]methanol is sourced from PubChem (CID 139756453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).