2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C18H30N4O2S — CID 96509669

IUPAC2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCN(CC(=O)Nc1nncs1)[C@H]1C[C@H](OCC)C12CCCCC2
InChIInChI=1S/C18H30N4O2S/c1-3-10-22(12-16(23)20-17-21-19-13-25-17)14-11-15(24-4-2)18(14)8-6-5-7-9-18/h13-15H,3-12H2,1-2H3,(H,20,21,23)/t14-,15-/m0/s1
InChIKeyULMAIRSIGCGIKQ-GJZGRUSLSA-N
MW366.53 g/mol
LogP3.32
Rot. Bonds8

About 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 96509669) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID96509669
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCN(CC(=O)Nc1nncs1)[C@H]1C[C@H](OCC)C12CCCCC2
InChIInChI=1S/C18H30N4O2S/c1-3-10-22(12-16(23)20-17-21-19-13-25-17)14-11-15(24-4-2)18(14)8-6-5-7-9-18/h13-15H,3-12H2,1-2H3,(H,20,21,23)/t14-,15-/m0/s1
InChIKeyULMAIRSIGCGIKQ-GJZGRUSLSA-N
XLogP3.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 96509669) is 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CCCN(CC(=O)Nc1nncs1)[C@H]1C[C@H](OCC)C12CCCCC2.
What is the InChIKey of 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ULMAIRSIGCGIKQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-3-10-22(12-16(23)20-17-21-19-13-25-17)14-11-15(24-4-2)18(14)8-6-5-7-9-18/h13-15H,3-12H2,1-2H3,(H,20,21,23)/t14-,15-/m0/s1.
What are the key properties of 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 366.53 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-propylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 96509669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).