2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide

C8H15N5O3S — CID 112520032

IUPAC2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H15N5O3S/c1-6(2)9-8(14)5-13-4-7(10-12-13)11-17(3,15)16/h4,6,11H,5H2,1-3H3,(H,9,14)
InChIKeyKPWSSTOTIHPPGI-UHFFFAOYSA-N
MW261.31 g/mol
LogP-0.83
Rot. Bonds5

About 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide

2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 112520032) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide
PubChem CID112520032
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C8H15N5O3S/c1-6(2)9-8(14)5-13-4-7(10-12-13)11-17(3,15)16/h4,6,11H,5H2,1-3H3,(H,9,14)
InChIKeyKPWSSTOTIHPPGI-UHFFFAOYSA-N
XLogP-0.83
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide (CID 112520032) is 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(NS(C)(=O)=O)nn1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is KPWSSTOTIHPPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-6(2)9-8(14)5-13-4-7(10-12-13)11-17(3,15)16/h4,6,11H,5H2,1-3H3,(H,9,14).
What are the key properties of 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide?
2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 261.31 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 112520032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).