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

C5H9N3O2S2 — CID 110870205

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
SMILESCc1nnc(CNS(C)(=O)=O)s1
InChIInChI=1S/C5H9N3O2S2/c1-4-7-8-5(11-4)3-6-12(2,9)10/h6H,3H2,1-2H3
InChIKeyBWTRBMNYONHOSK-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.10
Rot. Bonds3

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

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide (PubChem CID 110870205) has the molecular formula C5H9N3O2S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
PubChem CID110870205
Molecular FormulaC5H9N3O2S2
Molecular Weight207.28 g/mol
Exact Mass207.01
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide
SMILESCc1nnc(CNS(C)(=O)=O)s1
InChIInChI=1S/C5H9N3O2S2/c1-4-7-8-5(11-4)3-6-12(2,9)10/h6H,3H2,1-2H3
InChIKeyBWTRBMNYONHOSK-UHFFFAOYSA-N
XLogP-0.10
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide (CID 110870205) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide is Cc1nnc(CNS(C)(=O)=O)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide?
The InChIKey is BWTRBMNYONHOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S2/c1-4-7-8-5(11-4)3-6-12(2,9)10/h6H,3H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide has a molecular weight of 207.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110870205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).