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

C9H19N5O2S — CID 164632572

IUPAC5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole
SMILESCCN(CC)S(=O)(=O)N[C@@H](C)c1ncnn1C
InChIInChI=1S/C9H19N5O2S/c1-5-14(6-2)17(15,16)12-8(3)9-10-7-11-13(9)4/h7-8,12H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyYXPBVVNUGBOXBY-QMMMGPOBSA-N
MW261.35 g/mol
LogP0.05
Rot. Bonds6

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

5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole (PubChem CID 164632572) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole
PubChem CID164632572
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole
SMILESCCN(CC)S(=O)(=O)N[C@@H](C)c1ncnn1C
InChIInChI=1S/C9H19N5O2S/c1-5-14(6-2)17(15,16)12-8(3)9-10-7-11-13(9)4/h7-8,12H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyYXPBVVNUGBOXBY-QMMMGPOBSA-N
XLogP0.05
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole (CID 164632572) is 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole is CCN(CC)S(=O)(=O)N[C@@H](C)c1ncnn1C.
What is the InChIKey of 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole?
The InChIKey is YXPBVVNUGBOXBY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-5-14(6-2)17(15,16)12-8(3)9-10-7-11-13(9)4/h7-8,12H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole?
5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole has a molecular weight of 261.35 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(diethylsulfamoylamino)ethyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 164632572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).