2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C9H17N5O3S — CID 54885238

IUPAC2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O3S/c1-3-4-18(16,17)14-7(2)9(15)10-5-8-11-6-12-13-8/h6-7,14H,3-5H2,1-2H3,(H,10,15)(H,11,12,13)
InChIKeyOADIKHQUSNWVOF-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.86
Rot. Bonds7

About 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 54885238) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID54885238
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O3S/c1-3-4-18(16,17)14-7(2)9(15)10-5-8-11-6-12-13-8/h6-7,14H,3-5H2,1-2H3,(H,10,15)(H,11,12,13)
InChIKeyOADIKHQUSNWVOF-UHFFFAOYSA-N
XLogP-0.86
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 54885238) is 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CCCS(=O)(=O)NC(C)C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is OADIKHQUSNWVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-3-4-18(16,17)14-7(2)9(15)10-5-8-11-6-12-13-8/h6-7,14H,3-5H2,1-2H3,(H,10,15)(H,11,12,13).
What are the key properties of 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 275.33 g/mol, XLogP of -0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 54885238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).