N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide

C8H15N3O2S2 — CID 2210930

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCCCCCc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C8H15N3O2S2/c1-3-4-5-6-7-9-10-8(14-7)11-15(2,12)13/h3-6H2,1-2H3,(H,10,11)
InChIKeyLUQVBLLQBLLLBC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.64
Rot. Bonds6

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 2210930) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID2210930
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCCCCCc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C8H15N3O2S2/c1-3-4-5-6-7-9-10-8(14-7)11-15(2,12)13/h3-6H2,1-2H3,(H,10,11)
InChIKeyLUQVBLLQBLLLBC-UHFFFAOYSA-N
XLogP1.64
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 2210930) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is CCCCCc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is LUQVBLLQBLLLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-3-4-5-6-7-9-10-8(14-7)11-15(2,12)13/h3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 249.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 2210930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).