1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol

C14H25NO2S — CID 24713142

IUPAC1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1cccs1)CC(O)COC(C)C
InChIInChI=1S/C14H25NO2S/c1-4-7-15(10-14-6-5-8-18-14)9-13(16)11-17-12(2)3/h5-6,8,12-13,16H,4,7,9-11H2,1-3H3
InChIKeyRVOSAEDZFQBCDN-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.75
Rot. Bonds9

About 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol

1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 24713142) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID24713142
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1cccs1)CC(O)COC(C)C
InChIInChI=1S/C14H25NO2S/c1-4-7-15(10-14-6-5-8-18-14)9-13(16)11-17-12(2)3/h5-6,8,12-13,16H,4,7,9-11H2,1-3H3
InChIKeyRVOSAEDZFQBCDN-UHFFFAOYSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 24713142) is 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol is CCCN(Cc1cccs1)CC(O)COC(C)C.
What is the InChIKey of 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is RVOSAEDZFQBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-4-7-15(10-14-6-5-8-18-14)9-13(16)11-17-12(2)3/h5-6,8,12-13,16H,4,7,9-11H2,1-3H3.
What are the key properties of 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol?
1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 24713142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).