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

C5H10N4O2S — CID 62945802

IUPACN-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H10N4O2S/c1-2-3-12(10,11)9-5-6-4-7-8-5/h4H,2-3H2,1H3,(H2,6,7,8,9)
InChIKeyGAPIDSZXWMXGQS-UHFFFAOYSA-N
MW190.23 g/mol
LogP-0.04
Rot. Bonds4

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

N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (PubChem CID 62945802) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
PubChem CID62945802
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC NameN-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H10N4O2S/c1-2-3-12(10,11)9-5-6-4-7-8-5/h4H,2-3H2,1H3,(H2,6,7,8,9)
InChIKeyGAPIDSZXWMXGQS-UHFFFAOYSA-N
XLogP-0.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propylsulfonyl)-1H-1,2,4-triazole
CID 20354895
4,4,4-trifluoro-N-(1H-1,2,4-triazol-5-yl)butane-1-sulfonamide
CID 83058380
2,2,2-Trifluoro-n-(4h-1,2,4-triazol-3-yl)ethane-1-sulfonamide
CID 164660969
3-Propylsulphonyl-1,2,4-triazole
CID 12238106
3-Butylsulphonyl-1,2,4-triazole
CID 20290139
3-Isopropylsulphonyl-1,2,4-triazole
CID 20290160
3-Sec.butylsulphonyl-1,2,4-triazole
CID 20355056
1-Butylsulfonyl-1,2,4-triazole
CID 21545703
N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 52106077
N-(1H-1,2,4-triazol-5-yl)ethenesulfonamide
CID 55252556
N-(1H-1,2,4-triazol-5-yl)prop-1-ene-2-sulfonamide
CID 57847797
N-(1H-1,2,4-triazol-5-yl)pentane-1-sulfonamide
CID 67943487

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide (CID 62945802) is N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
The InChIKey is GAPIDSZXWMXGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c1-2-3-12(10,11)9-5-6-4-7-8-5/h4H,2-3H2,1H3,(H2,6,7,8,9).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide?
N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide has a molecular weight of 190.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)propane-1-sulfonamide is sourced from PubChem (CID 62945802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).