3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol

C11H19NO2S — CID 107784101

IUPAC3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol
SMILESCCNC(CCO)CSc1ccoc1C
InChIInChI=1S/C11H19NO2S/c1-3-12-10(4-6-13)8-15-11-5-7-14-9(11)2/h5,7,10,12-13H,3-4,6,8H2,1-2H3
InChIKeyCPAPKBBJURWSHJ-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.04
Rot. Bonds7

About 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol

3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol (PubChem CID 107784101) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol
PubChem CID107784101
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol
SMILESCCNC(CCO)CSc1ccoc1C
InChIInChI=1S/C11H19NO2S/c1-3-12-10(4-6-13)8-15-11-5-7-14-9(11)2/h5,7,10,12-13H,3-4,6,8H2,1-2H3
InChIKeyCPAPKBBJURWSHJ-UHFFFAOYSA-N
XLogP2.04
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784672
N-methyl-1-(2-methylfuran-3-yl)sulfanylpentan-2-amine
CID 107784337
N-ethyl-3-methyl-1-(2-methylfuran-3-yl)sulfanylbutan-2-amine
CID 107784089
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
CID 104922695
N-ethyl-2-(2-methylfuran-3-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107784290
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-(ethylamino)butan-1-ol
CID 115479324
N-[2-(2-methylfuran-3-yl)sulfanylethyl]pentan-3-amine
CID 107782619
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol
CID 64928528

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol?
The IUPAC name of 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol (CID 107784101) is 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol is CCNC(CCO)CSc1ccoc1C.
What is the InChIKey of 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol?
The InChIKey is CPAPKBBJURWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-3-12-10(4-6-13)8-15-11-5-7-14-9(11)2/h5,7,10,12-13H,3-4,6,8H2,1-2H3.
What are the key properties of 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol?
3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol has a molecular weight of 229.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol is sourced from PubChem (CID 107784101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).