3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol

C14H24N2OS — CID 107770916

IUPAC3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
SMILESCCNC(CC)c1ccc(SC(C)C(C)O)cn1
InChIInChI=1S/C14H24N2OS/c1-5-13(15-6-2)14-8-7-12(9-16-14)18-11(4)10(3)17/h7-11,13,15,17H,5-6H2,1-4H3
InChIKeyHXWHIUJOZYLGRE-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.00
Rot. Bonds7

About 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol

3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol (PubChem CID 107770916) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
PubChem CID107770916
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol
SMILESCCNC(CC)c1ccc(SC(C)C(C)O)cn1
InChIInChI=1S/C14H24N2OS/c1-5-13(15-6-2)14-8-7-12(9-16-14)18-11(4)10(3)17/h7-11,13,15,17H,5-6H2,1-4H3
InChIKeyHXWHIUJOZYLGRE-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol with MolForge

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Related Compounds

N-ethyl-1-(5-ethylsulfanyl-2-pyridinyl)propan-1-amine
CID 112584977
3-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107772342
N-ethyl-1-(5-pyridin-4-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 112585179
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
1-[5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940305
(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol
CID 83129606
6-[1-(ethylamino)propyl]-N,N-dimethylpyridin-3-amine
CID 112584103
4-ethyl-3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-1,2,4-triazol-5-one
CID 115940323
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]ethanol
CID 112584333
4-amino-2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 136985232
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 115939424

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol?
The IUPAC name of 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol (CID 107770916) is 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol?
The canonical SMILES for 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol is CCNC(CC)c1ccc(SC(C)C(C)O)cn1.
What is the InChIKey of 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol?
The InChIKey is HXWHIUJOZYLGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-13(15-6-2)14-8-7-12(9-16-14)18-11(4)10(3)17/h7-11,13,15,17H,5-6H2,1-4H3.
What are the key properties of 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol?
3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol has a molecular weight of 268.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[1-(ethylamino)propyl]-3-pyridinyl]sulfanyl]butan-2-ol is sourced from PubChem (CID 107770916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).