1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

C14H25N3O3S — CID 83036263

IUPAC1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCCC1(CC)CC(NCC(O)COc2cnsn2)CCO1
InChIInChI=1S/C14H25N3O3S/c1-3-14(4-2)7-11(5-6-20-14)15-8-12(18)10-19-13-9-16-21-17-13/h9,11-12,15,18H,3-8,10H2,1-2H3
InChIKeyINMLWEQZHYYGOH-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.61
Rot. Bonds8

About 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol

1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (PubChem CID 83036263) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
PubChem CID83036263
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
SMILESCCC1(CC)CC(NCC(O)COc2cnsn2)CCO1
InChIInChI=1S/C14H25N3O3S/c1-3-14(4-2)7-11(5-6-20-14)15-8-12(18)10-19-13-9-16-21-17-13/h9,11-12,15,18H,3-8,10H2,1-2H3
InChIKeyINMLWEQZHYYGOH-UHFFFAOYSA-N
XLogP1.61
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The IUPAC name of 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (CID 83036263) is 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The canonical SMILES for 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is CCC1(CC)CC(NCC(O)COc2cnsn2)CCO1.
What is the InChIKey of 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
The InChIKey is INMLWEQZHYYGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-14(4-2)7-11(5-6-20-14)15-8-12(18)10-19-13-9-16-21-17-13/h9,11-12,15,18H,3-8,10H2,1-2H3.
What are the key properties of 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol?
1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol has a molecular weight of 315.44 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-diethyloxan-4-yl)amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol is sourced from PubChem (CID 83036263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).