1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide

C10H16N4O3S2 — CID 168717006

IUPAC1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCCCc1nnc(N2CC(S(N)(=O)=O)CC2=O)s1
InChIInChI=1S/C10H16N4O3S2/c1-2-3-4-8-12-13-10(18-8)14-6-7(5-9(14)15)19(11,16)17/h7H,2-6H2,1H3,(H2,11,16,17)
InChIKeyVLCNLHXXXQRZKF-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.27
Rot. Bonds5

About 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717006) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717006
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCCCc1nnc(N2CC(S(N)(=O)=O)CC2=O)s1
InChIInChI=1S/C10H16N4O3S2/c1-2-3-4-8-12-13-10(18-8)14-6-7(5-9(14)15)19(11,16)17/h7H,2-6H2,1H3,(H2,11,16,17)
InChIKeyVLCNLHXXXQRZKF-UHFFFAOYSA-N
XLogP0.27
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168717006) is 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide is CCCCc1nnc(N2CC(S(N)(=O)=O)CC2=O)s1.
What is the InChIKey of 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is VLCNLHXXXQRZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-2-3-4-8-12-13-10(18-8)14-6-7(5-9(14)15)19(11,16)17/h7H,2-6H2,1H3,(H2,11,16,17).
What are the key properties of 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 304.40 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).