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

C9H19N5O2S — CID 54883149

IUPAC5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole
SMILESCCCN(CCC)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H19N5O2S/c1-3-5-14(6-4-2)17(15,16)12-7-9-10-8-11-13-9/h8,12H,3-7H2,1-2H3,(H,10,11,13)
InChIKeyOBIPFXKOWXHNCU-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.26
Rot. Bonds8

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

5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole (PubChem CID 54883149) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole
PubChem CID54883149
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole
SMILESCCCN(CCC)S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H19N5O2S/c1-3-5-14(6-4-2)17(15,16)12-7-9-10-8-11-13-9/h8,12H,3-7H2,1-2H3,(H,10,11,13)
InChIKeyOBIPFXKOWXHNCU-UHFFFAOYSA-N
XLogP0.26
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole (CID 54883149) is 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole is CCCN(CCC)S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole?
The InChIKey is OBIPFXKOWXHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-3-5-14(6-4-2)17(15,16)12-7-9-10-8-11-13-9/h8,12H,3-7H2,1-2H3,(H,10,11,13).
What are the key properties of 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole?
5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole has a molecular weight of 261.35 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dipropylsulfamoylamino)methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 54883149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).