2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide

C8H17N5O2S — CID 62118697

IUPAC2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NC(C)c1nncn1C
InChIInChI=1S/C8H17N5O2S/c1-7(8-11-10-6-13(8)3)12-16(14,15)5-4-9-2/h6-7,9,12H,4-5H2,1-3H3
InChIKeyINBFSRGZEIKNIW-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.99
Rot. Bonds6

About 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide

2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 62118697) has the molecular formula C8H17N5O2S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
PubChem CID62118697
Molecular FormulaC8H17N5O2S
Molecular Weight247.32 g/mol
Exact Mass247.11
IUPAC Name2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NC(C)c1nncn1C
InChIInChI=1S/C8H17N5O2S/c1-7(8-11-10-6-13(8)3)12-16(14,15)5-4-9-2/h6-7,9,12H,4-5H2,1-3H3
InChIKeyINBFSRGZEIKNIW-UHFFFAOYSA-N
XLogP-0.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide (CID 62118697) is 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide is CNCCS(=O)(=O)NC(C)c1nncn1C.
What is the InChIKey of 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is INBFSRGZEIKNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2S/c1-7(8-11-10-6-13(8)3)12-16(14,15)5-4-9-2/h6-7,9,12H,4-5H2,1-3H3.
What are the key properties of 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 62118697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).