N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

C7H13N5O3S — CID 112519995

IUPACN-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C7H13N5O3S/c1-3-8-7(13)5-12-4-6(9-11-12)10-16(2,14)15/h4,10H,3,5H2,1-2H3,(H,8,13)
InChIKeyDLLQLMAQKMXBKI-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.21
Rot. Bonds5

About N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112519995) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112519995
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC NameN-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCCNC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C7H13N5O3S/c1-3-8-7(13)5-12-4-6(9-11-12)10-16(2,14)15/h4,10H,3,5H2,1-2H3,(H,8,13)
InChIKeyDLLQLMAQKMXBKI-UHFFFAOYSA-N
XLogP-1.21
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112519995) is N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is CCNC(=O)Cn1cc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is DLLQLMAQKMXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-3-8-7(13)5-12-4-6(9-11-12)10-16(2,14)15/h4,10H,3,5H2,1-2H3,(H,8,13).
What are the key properties of N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide has a molecular weight of 247.28 g/mol, XLogP of -1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is sourced from PubChem (CID 112519995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).