2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide

C14H21F2N5O2S2 — CID 155681990

IUPAC2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)C(c1nsc(N3CCCCC3)n1)C2(F)F
InChIInChI=1S/C14H21F2N5O2S2/c15-14(16)10(13(14)4-8-21(9-5-13)25(17,22)23)11-18-12(24-19-11)20-6-2-1-3-7-20/h10H,1-9H2,(H2,17,22,23)
InChIKeySZQYWSDIHHIYRE-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.55
Rot. Bonds3

About 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide

2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide (PubChem CID 155681990) has the molecular formula C14H21F2N5O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide.

Molecular Properties

Compound Name2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide
PubChem CID155681990
Molecular FormulaC14H21F2N5O2S2
Molecular Weight393.49 g/mol
Exact Mass393.11
IUPAC Name2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide
SMILESNS(=O)(=O)N1CCC2(CC1)C(c1nsc(N3CCCCC3)n1)C2(F)F
InChIInChI=1S/C14H21F2N5O2S2/c15-14(16)10(13(14)4-8-21(9-5-13)25(17,22)23)11-18-12(24-19-11)20-6-2-1-3-7-20/h10H,1-9H2,(H2,17,22,23)
InChIKeySZQYWSDIHHIYRE-UHFFFAOYSA-N
XLogP1.55
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide?
The IUPAC name of 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide (CID 155681990) is 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide.
What is the SMILES notation for 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide?
The canonical SMILES for 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide is NS(=O)(=O)N1CCC2(CC1)C(c1nsc(N3CCCCC3)n1)C2(F)F.
What is the InChIKey of 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide?
The InChIKey is SZQYWSDIHHIYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O2S2/c15-14(16)10(13(14)4-8-21(9-5-13)25(17,22)23)11-18-12(24-19-11)20-6-2-1-3-7-20/h10H,1-9H2,(H2,17,22,23).
What are the key properties of 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide?
2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)-6-azaspiro[2.5]octane-6-sulfonamide is sourced from PubChem (CID 155681990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).