3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol

C12H19NO3S — CID 103173570

IUPAC3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol
SMILESCOc1ccnc(CSC(C)CCO)c1OC
InChIInChI=1S/C12H19NO3S/c1-9(5-7-14)17-8-10-12(16-3)11(15-2)4-6-13-10/h4,6,9,14H,5,7-8H2,1-3H3
InChIKeyVFPLCFWBWQCMAS-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.10
Rot. Bonds7

About 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol

3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol (PubChem CID 103173570) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol
PubChem CID103173570
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol
SMILESCOc1ccnc(CSC(C)CCO)c1OC
InChIInChI=1S/C12H19NO3S/c1-9(5-7-14)17-8-10-12(16-3)11(15-2)4-6-13-10/h4,6,9,14H,5,7-8H2,1-3H3
InChIKeyVFPLCFWBWQCMAS-UHFFFAOYSA-N
XLogP2.10
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 176896429
methyl 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]-2-methylpropanoate
CID 103172037
3-[(3,4-dimethoxy-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 103173812
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
CID 103173777
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
1-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-N-methylbutane-1,3-diamine
CID 103174073
2-(3,4-dimethoxy-2-pyridinyl)propan-1-ol
CID 141080015
3-[(3-amino-4-methoxyphenyl)methylsulfanyl]butan-1-ol
CID 66138078
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
3-bromo-4-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]aniline
CID 103173254
2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]propanoic acid
CID 103173703

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol?
The IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol (CID 103173570) is 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol?
The canonical SMILES for 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol is COc1ccnc(CSC(C)CCO)c1OC.
What is the InChIKey of 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol?
The InChIKey is VFPLCFWBWQCMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(5-7-14)17-8-10-12(16-3)11(15-2)4-6-13-10/h4,6,9,14H,5,7-8H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol?
3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol has a molecular weight of 257.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]butan-1-ol is sourced from PubChem (CID 103173570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).