3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride

C9H13FN4O3S2 — CID 166419816

IUPAC3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride
SMILESCCc1nnsc1C(=O)NC1CCN(S(=O)(=O)F)C1
InChIInChI=1S/C9H13FN4O3S2/c1-2-7-8(18-13-12-7)9(15)11-6-3-4-14(5-6)19(10,16)17/h6H,2-5H2,1H3,(H,11,15)
InChIKeyLKRXQTXVERLSMB-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.12
Rot. Bonds4

About 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride

3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride (PubChem CID 166419816) has the molecular formula C9H13FN4O3S2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride
PubChem CID166419816
Molecular FormulaC9H13FN4O3S2
Molecular Weight308.36 g/mol
Exact Mass308.04
IUPAC Name3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride
SMILESCCc1nnsc1C(=O)NC1CCN(S(=O)(=O)F)C1
InChIInChI=1S/C9H13FN4O3S2/c1-2-7-8(18-13-12-7)9(15)11-6-3-4-14(5-6)19(10,16)17/h6H,2-5H2,1H3,(H,11,15)
InChIKeyLKRXQTXVERLSMB-UHFFFAOYSA-N
XLogP0.12
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride?
The IUPAC name of 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride (CID 166419816) is 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride.
What is the SMILES notation for 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride?
The canonical SMILES for 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride is CCc1nnsc1C(=O)NC1CCN(S(=O)(=O)F)C1.
What is the InChIKey of 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride?
The InChIKey is LKRXQTXVERLSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O3S2/c1-2-7-8(18-13-12-7)9(15)11-6-3-4-14(5-6)19(10,16)17/h6H,2-5H2,1H3,(H,11,15).
What are the key properties of 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride?
3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride has a molecular weight of 308.36 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylthiadiazole-5-carbonyl)amino]pyrrolidine-1-sulfonyl fluoride is sourced from PubChem (CID 166419816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).