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

C6H9N3O2S2 — CID 35280994

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C6H9N3O2S2/c1-13(10,11)9-6-8-7-5(12-6)4-2-3-4/h4H,2-3H2,1H3,(H,8,9)
InChIKeyRJTMQLCBVRDQMP-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.79
Rot. Bonds3

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (PubChem CID 35280994) has the molecular formula C6H9N3O2S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
PubChem CID35280994
Molecular FormulaC6H9N3O2S2
Molecular Weight219.29 g/mol
Exact Mass219.01
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C6H9N3O2S2/c1-13(10,11)9-6-8-7-5(12-6)4-2-3-4/h4H,2-3H2,1H3,(H,8,9)
InChIKeyRJTMQLCBVRDQMP-UHFFFAOYSA-N
XLogP0.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamide
CID 25154730
N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 645242
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 846178
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 846179
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 1531668
N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 2963213
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 750636
N-(5-pentyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 2210930
N-(5-ethyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 3521274
N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
N-(5-ethyl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide
CID 19029637
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-2-sulfonamide
CID 21037371

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide (CID 35280994) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is CS(=O)(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
The InChIKey is RJTMQLCBVRDQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S2/c1-13(10,11)9-6-8-7-5(12-6)4-2-3-4/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide has a molecular weight of 219.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 35280994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).