N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide

C5H10N4O2S — CID 91320773

IUPACN-[(1-methyltriazol-4-yl)methyl]methanesulfonamide
SMILESCn1cc(CNS(C)(=O)=O)nn1
InChIInChI=1S/C5H10N4O2S/c1-9-4-5(7-8-9)3-6-12(2,10)11/h4,6H,3H2,1-2H3
InChIKeySLAMBBNFWXXXAJ-UHFFFAOYSA-N
MW190.23 g/mol
LogP-1.14
Rot. Bonds3

About N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide

N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide (PubChem CID 91320773) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]methanesulfonamide
PubChem CID91320773
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]methanesulfonamide
SMILESCn1cc(CNS(C)(=O)=O)nn1
InChIInChI=1S/C5H10N4O2S/c1-9-4-5(7-8-9)3-6-12(2,10)11/h4,6H,3H2,1-2H3
InChIKeySLAMBBNFWXXXAJ-UHFFFAOYSA-N
XLogP-1.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide (CID 91320773) is N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide is Cn1cc(CNS(C)(=O)=O)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide?
The InChIKey is SLAMBBNFWXXXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-9-4-5(7-8-9)3-6-12(2,10)11/h4,6H,3H2,1-2H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide?
N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide has a molecular weight of 190.23 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 91320773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).