3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol

C15H27NOS2 — CID 82074553

IUPAC3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol
SMILESCCSc1ccc(C(O)CCN(CC)C(C)(C)C)s1
InChIInChI=1S/C15H27NOS2/c1-6-16(15(3,4)5)11-10-12(17)13-8-9-14(19-13)18-7-2/h8-9,12,17H,6-7,10-11H2,1-5H3
InChIKeyXXDWEXOMEGCLEV-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.40
Rot. Bonds7

About 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol

3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol (PubChem CID 82074553) has the molecular formula C15H27NOS2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol
PubChem CID82074553
Molecular FormulaC15H27NOS2
Molecular Weight301.52 g/mol
Exact Mass301.15
IUPAC Name3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol
SMILESCCSc1ccc(C(O)CCN(CC)C(C)(C)C)s1
InChIInChI=1S/C15H27NOS2/c1-6-16(15(3,4)5)11-10-12(17)13-8-9-14(19-13)18-7-2/h8-9,12,17H,6-7,10-11H2,1-5H3
InChIKeyXXDWEXOMEGCLEV-UHFFFAOYSA-N
XLogP4.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[benzyl(methyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol
CID 82074544
3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
CID 82074488
3-(dipropylamino)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
CID 82074564
3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol
CID 82073458
3-[butyl(ethyl)amino]-1-(5-propan-2-ylsulfanylthiophen-2-yl)propan-1-ol
CID 82074530
1-(5-bromothiophen-2-yl)-3-(diethylamino)propan-1-ol
CID 82074242
3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82073429
2-chloro-5-ethylsulfanylthiophene
CID 55269590
3-(2-methylpiperidin-1-yl)-1-(5-propylsulfanylthiophen-2-yl)propan-1-ol
CID 82074571
2-(diethylamino)-2-ethyl-1-(5-methylthiophen-2-yl)butan-1-ol
CID 79061093
1-(3-amino-4-methylphenyl)-2-[tert-butyl(ethyl)amino]ethanol
CID 82071565
N-[3-hydroxy-3-(5-methylthiophen-2-yl)propyl]-N-methylprop-2-enamide
CID 146095099

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol (CID 82074553) is 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol is CCSc1ccc(C(O)CCN(CC)C(C)(C)C)s1.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol?
The InChIKey is XXDWEXOMEGCLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS2/c1-6-16(15(3,4)5)11-10-12(17)13-8-9-14(19-13)18-7-2/h8-9,12,17H,6-7,10-11H2,1-5H3.
What are the key properties of 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol?
3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol has a molecular weight of 301.52 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]-1-(5-ethylsulfanylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 82074553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).