N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide

C7H14N4O2S — CID 129085736

IUPACN-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCn1cc(C)nn1
InChIInChI=1S/C7H14N4O2S/c1-7-6-11(10-9-7)4-3-5-14(12,13)8-2/h6,8H,3-5H2,1-2H3
InChIKeyRJMGJVXIDFKUGU-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.47
Rot. Bonds5

About N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide

N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide (PubChem CID 129085736) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide
PubChem CID129085736
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide
SMILESCNS(=O)(=O)CCCn1cc(C)nn1
InChIInChI=1S/C7H14N4O2S/c1-7-6-11(10-9-7)4-3-5-14(12,13)8-2/h6,8H,3-5H2,1-2H3
InChIKeyRJMGJVXIDFKUGU-UHFFFAOYSA-N
XLogP-0.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide?
The IUPAC name of N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide (CID 129085736) is N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide.
What is the SMILES notation for N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide?
The canonical SMILES for N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide is CNS(=O)(=O)CCCn1cc(C)nn1.
What is the InChIKey of N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide?
The InChIKey is RJMGJVXIDFKUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-7-6-11(10-9-7)4-3-5-14(12,13)8-2/h6,8H,3-5H2,1-2H3.
What are the key properties of N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide?
N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyltriazol-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 129085736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).