1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

C14H25NO3S — CID 24713890

IUPAC1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(Cc1cccs1)CC(O)COC(C)C
InChIInChI=1S/C14H25NO3S/c1-12(2)18-11-13(16)9-15(6-7-17-3)10-14-5-4-8-19-14/h4-5,8,12-13,16H,6-7,9-11H2,1-3H3
InChIKeyYPWCZEZMASJSPN-UHFFFAOYSA-N
MW287.42 g/mol
LogP1.98
Rot. Bonds10

About 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 24713890) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID24713890
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(Cc1cccs1)CC(O)COC(C)C
InChIInChI=1S/C14H25NO3S/c1-12(2)18-11-13(16)9-15(6-7-17-3)10-14-5-4-8-19-14/h4-5,8,12-13,16H,6-7,9-11H2,1-3H3
InChIKeyYPWCZEZMASJSPN-UHFFFAOYSA-N
XLogP1.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 24713890) is 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is COCCN(Cc1cccs1)CC(O)COC(C)C.
What is the InChIKey of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is YPWCZEZMASJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-12(2)18-11-13(16)9-15(6-7-17-3)10-14-5-4-8-19-14/h4-5,8,12-13,16H,6-7,9-11H2,1-3H3.
What are the key properties of 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 287.42 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 24713890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).