N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide

C9H16N4O2S2 — CID 86785240

IUPACN-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2csnn2)C1
InChIInChI=1S/C9H16N4O2S2/c1-2-10-17(14,15)9-3-4-13(6-9)5-8-7-16-12-11-8/h7,9-10H,2-6H2,1H3
InChIKeyZZSHKSQHHPZLLJ-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.05
Rot. Bonds5

About N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide

N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide (PubChem CID 86785240) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide
PubChem CID86785240
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC NameN-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(Cc2csnn2)C1
InChIInChI=1S/C9H16N4O2S2/c1-2-10-17(14,15)9-3-4-13(6-9)5-8-7-16-12-11-8/h7,9-10H,2-6H2,1H3
InChIKeyZZSHKSQHHPZLLJ-UHFFFAOYSA-N
XLogP0.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide (CID 86785240) is N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(Cc2csnn2)C1.
What is the InChIKey of N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide?
The InChIKey is ZZSHKSQHHPZLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-2-10-17(14,15)9-3-4-13(6-9)5-8-7-16-12-11-8/h7,9-10H,2-6H2,1H3.
What are the key properties of N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide?
N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide has a molecular weight of 276.39 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiadiazol-4-ylmethyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 86785240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).