1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide

C5H10N4O2S — CID 21422057

IUPAC1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCCC(c1ncn[nH]1)S(N)(=O)=O
InChIInChI=1S/C5H10N4O2S/c1-2-4(12(6,10)11)5-7-3-8-9-5/h3-4H,2H2,1H3,(H2,6,10,11)(H,7,8,9)
InChIKeySASIEWYVTJZECL-UHFFFAOYSA-N
MW190.23 g/mol
LogP-0.46
Rot. Bonds3

About 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide

1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (PubChem CID 21422057) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
PubChem CID21422057
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC Name1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCCC(c1ncn[nH]1)S(N)(=O)=O
InChIInChI=1S/C5H10N4O2S/c1-2-4(12(6,10)11)5-7-3-8-9-5/h3-4H,2H2,1H3,(H2,6,10,11)(H,7,8,9)
InChIKeySASIEWYVTJZECL-UHFFFAOYSA-N
XLogP-0.46
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1H-1,2,4-triazol-3-yl)methanesulfonyl fluoride
CID 54247188
N-[(3S)-3-amino-3-(1H-1,2,4-triazol-5-yl)propylidene]-4,4,4-trifluorobutane-1-sulfonamide
CID 176903826
1,1,1-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64529871
1,1-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]methanesulfonamide
CID 64530110
1,1-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64531869
4,4,4-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059570
4,4,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butane-1-sulfonamide
CID 83059718
4,4,4-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butane-1-sulfonamide
CID 83059850
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 83059989
4,4,4-trifluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butane-1-sulfonamide
CID 103943299
2-(1H-1,2,4-triazol-3-yl)ethane-1-sulfonyl fluoride
CID 165869227
3-(1H-1,2,4-triazol-3-yl)-1-propanesulfonic acid
CID 4155245

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (CID 21422057) is 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is CCC(c1ncn[nH]1)S(N)(=O)=O.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The InChIKey is SASIEWYVTJZECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-2-4(12(6,10)11)5-7-3-8-9-5/h3-4H,2H2,1H3,(H2,6,10,11)(H,7,8,9).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide has a molecular weight of 190.23 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 21422057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).