5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole

C7H15N5O2S — CID 60983081

IUPAC5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole
SMILESCCN(CC)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H15N5O2S/c1-3-12(4-2)15(13,14)10-5-7-8-6-9-11-7/h6,10H,3-5H2,1-2H3,(H,8,9,11)
InChIKeyHSUKGMNSKHWEJM-UHFFFAOYSA-N
MW233.30 g/mol
LogP-0.52
Rot. Bonds6

About 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole

5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole (PubChem CID 60983081) has the molecular formula C7H15N5O2S and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole
PubChem CID60983081
Molecular FormulaC7H15N5O2S
Molecular Weight233.30 g/mol
Exact Mass233.09
IUPAC Name5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole
SMILESCCN(CC)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C7H15N5O2S/c1-3-12(4-2)15(13,14)10-5-7-8-6-9-11-7/h6,10H,3-5H2,1-2H3,(H,8,9,11)
InChIKeyHSUKGMNSKHWEJM-UHFFFAOYSA-N
XLogP-0.52
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole (CID 60983081) is 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole is CCN(CC)S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole?
The InChIKey is HSUKGMNSKHWEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O2S/c1-3-12(4-2)15(13,14)10-5-7-8-6-9-11-7/h6,10H,3-5H2,1-2H3,(H,8,9,11).
What are the key properties of 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole?
5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole has a molecular weight of 233.30 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(diethylsulfamoylamino)methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 60983081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).