2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol

C16H27NO2S — CID 106810884

IUPAC2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol
SMILESCCNC(CC)(CO)CCCSc1cccc(OC)c1
InChIInChI=1S/C16H27NO2S/c1-4-16(13-18,17-5-2)10-7-11-20-15-9-6-8-14(12-15)19-3/h6,8-9,12,17-18H,4-5,7,10-11,13H2,1-3H3
InChIKeyLEPQSEOGXKEBSD-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.32
Rot. Bonds10

About 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol

2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol (PubChem CID 106810884) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol
PubChem CID106810884
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol
SMILESCCNC(CC)(CO)CCCSc1cccc(OC)c1
InChIInChI=1S/C16H27NO2S/c1-4-16(13-18,17-5-2)10-7-11-20-15-9-6-8-14(12-15)19-3/h6,8-9,12,17-18H,4-5,7,10-11,13H2,1-3H3
InChIKeyLEPQSEOGXKEBSD-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-methoxyphenyl)sulfanylpropan-1-amine
CID 61385948
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
6-(3-methoxyphenyl)sulfanylhexan-3-one
CID 104623576
2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
CID 106811106
3-(3-methoxyphenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 61385968
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
CID 64805744
5-(3-methoxyphenyl)sulfanylpentanehydrazide
CID 63580608
2-cyclopropyl-2-(ethylamino)-3-(3-methoxyphenyl)sulfanylpropanoic acid
CID 63917106
2-ethyl-2-(ethylamino)-5-(4-propylphenoxy)pentan-1-ol
CID 106810139
4-(3-methoxyphenyl)sulfanyl-2,2-dimethylbutanenitrile
CID 65176494
3-(3-methoxyphenyl)sulfanylpropyl methanesulfonate
CID 102166048

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol (CID 106810884) is 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol is CCNC(CC)(CO)CCCSc1cccc(OC)c1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol?
The InChIKey is LEPQSEOGXKEBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-4-16(13-18,17-5-2)10-7-11-20-15-9-6-8-14(12-15)19-3/h6,8-9,12,17-18H,4-5,7,10-11,13H2,1-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol?
2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol has a molecular weight of 297.46 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(3-methoxyphenyl)sulfanylpentan-1-ol is sourced from PubChem (CID 106810884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).