1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol

C14H25NO2S — CID 110882281

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCC(c1cccs1)N(C)CC(O)COC(C)(C)C
InChIInChI=1S/C14H25NO2S/c1-11(13-7-6-8-18-13)15(5)9-12(16)10-17-14(2,3)4/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeySDDGGBRECIJHCR-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.92
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol (PubChem CID 110882281) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
PubChem CID110882281
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
SMILESCC(c1cccs1)N(C)CC(O)COC(C)(C)C
InChIInChI=1S/C14H25NO2S/c1-11(13-7-6-8-18-13)15(5)9-12(16)10-17-14(2,3)4/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeySDDGGBRECIJHCR-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol (CID 110882281) is 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol is CC(c1cccs1)N(C)CC(O)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
The InChIKey is SDDGGBRECIJHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-11(13-7-6-8-18-13)15(5)9-12(16)10-17-14(2,3)4/h6-8,11-12,16H,9-10H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol is sourced from PubChem (CID 110882281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).