N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

C8H15N3O2S2 — CID 750636

IUPACN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCC(C)(C)Cc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C8H15N3O2S2/c1-8(2,3)5-6-9-10-7(14-6)11-15(4,12)13/h5H2,1-4H3,(H,10,11)
InChIKeyONVVWBRZVRTGGJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.50
Rot. Bonds3

About N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 750636) has the molecular formula C8H15N3O2S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID750636
Molecular FormulaC8H15N3O2S2
Molecular Weight249.36 g/mol
Exact Mass249.06
IUPAC NameN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCC(C)(C)Cc1nnc(NS(C)(=O)=O)s1
InChIInChI=1S/C8H15N3O2S2/c1-8(2,3)5-6-9-10-7(14-6)11-15(4,12)13/h5H2,1-4H3,(H,10,11)
InChIKeyONVVWBRZVRTGGJ-UHFFFAOYSA-N
XLogP1.50
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 750636) is N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is CC(C)(C)Cc1nnc(NS(C)(=O)=O)s1.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is ONVVWBRZVRTGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S2/c1-8(2,3)5-6-9-10-7(14-6)11-15(4,12)13/h5H2,1-4H3,(H,10,11).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 249.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 750636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).