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

C6H11N3O2S2 — CID 130727418

IUPACN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
SMILESCc1nnc(CN(C)S(C)(=O)=O)s1
InChIInChI=1S/C6H11N3O2S2/c1-5-7-8-6(12-5)4-9(2)13(3,10)11/h4H2,1-3H3
InChIKeyOVSQNTIOTRPVPF-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.24
Rot. Bonds3

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

N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide (PubChem CID 130727418) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
PubChem CID130727418
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
SMILESCc1nnc(CN(C)S(C)(=O)=O)s1
InChIInChI=1S/C6H11N3O2S2/c1-5-7-8-6(12-5)4-9(2)13(3,10)11/h4H2,1-3H3
InChIKeyOVSQNTIOTRPVPF-UHFFFAOYSA-N
XLogP0.24
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide (CID 130727418) is N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide is Cc1nnc(CN(C)S(C)(=O)=O)s1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is OVSQNTIOTRPVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-5-7-8-6(12-5)4-9(2)13(3,10)11/h4H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide?
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 221.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 130727418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).