2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide

C8H15N5O3S — CID 82211309

IUPAC2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nnc(S(=O)(=O)C(C)C)c1N
InChIInChI=1S/C8H15N5O3S/c1-5(2)17(15,16)8-7(9)13(12-11-8)4-6(14)10-3/h5H,4,9H2,1-3H3,(H,10,14)
InChIKeyITCNPVVTWZAXKJ-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.21
Rot. Bonds4

About 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide

2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide (PubChem CID 82211309) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide
PubChem CID82211309
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nnc(S(=O)(=O)C(C)C)c1N
InChIInChI=1S/C8H15N5O3S/c1-5(2)17(15,16)8-7(9)13(12-11-8)4-6(14)10-3/h5H,4,9H2,1-3H3,(H,10,14)
InChIKeyITCNPVVTWZAXKJ-UHFFFAOYSA-N
XLogP-1.21
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide (CID 82211309) is 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide is CNC(=O)Cn1nnc(S(=O)(=O)C(C)C)c1N.
What is the InChIKey of 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide?
The InChIKey is ITCNPVVTWZAXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-5(2)17(15,16)8-7(9)13(12-11-8)4-6(14)10-3/h5H,4,9H2,1-3H3,(H,10,14).
What are the key properties of 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide?
2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide has a molecular weight of 261.31 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-propan-2-ylsulfonyltriazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 82211309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).