4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol

C15H25NO2S — CID 79065695

IUPAC4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol
SMILESCCC(C)(C(O)CCc1ccsc1)N1CCOCC1
InChIInChI=1S/C15H25NO2S/c1-3-15(2,16-7-9-18-10-8-16)14(17)5-4-13-6-11-19-12-13/h6,11-12,14,17H,3-5,7-10H2,1-2H3
InChIKeyHRJCDROKDBKOGX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.54
Rot. Bonds6

About 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol

4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol (PubChem CID 79065695) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol.

Molecular Properties

Compound Name4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol
PubChem CID79065695
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol
SMILESCCC(C)(C(O)CCc1ccsc1)N1CCOCC1
InChIInChI=1S/C15H25NO2S/c1-3-15(2,16-7-9-18-10-8-16)14(17)5-4-13-6-11-19-12-13/h6,11-12,14,17H,3-5,7-10H2,1-2H3
InChIKeyHRJCDROKDBKOGX-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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CID 155302654
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CID 157039454
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CID 157039786

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol?
The IUPAC name of 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol (CID 79065695) is 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol.
What is the SMILES notation for 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol?
The canonical SMILES for 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol is CCC(C)(C(O)CCc1ccsc1)N1CCOCC1.
What is the InChIKey of 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol?
The InChIKey is HRJCDROKDBKOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-15(2,16-7-9-18-10-8-16)14(17)5-4-13-6-11-19-12-13/h6,11-12,14,17H,3-5,7-10H2,1-2H3.
What are the key properties of 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol?
4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol has a molecular weight of 283.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-morpholin-4-yl-1-thiophen-3-ylhexan-3-ol is sourced from PubChem (CID 79065695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).