2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide

C6H13N5O2S — CID 64532031

IUPAC2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C6H13N5O2S/c7-2-4-14(12,13)10-3-1-6-8-5-9-11-6/h5,10H,1-4,7H2,(H,8,9,11)
InChIKeyHPADASVFTGYKJS-UHFFFAOYSA-N
MW219.27 g/mol
LogP-1.77
Rot. Bonds6

About 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide

2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide (PubChem CID 64532031) has the molecular formula C6H13N5O2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
PubChem CID64532031
Molecular FormulaC6H13N5O2S
Molecular Weight219.27 g/mol
Exact Mass219.08
IUPAC Name2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCCc1ncn[nH]1
InChIInChI=1S/C6H13N5O2S/c7-2-4-14(12,13)10-3-1-6-8-5-9-11-6/h5,10H,1-4,7H2,(H,8,9,11)
InChIKeyHPADASVFTGYKJS-UHFFFAOYSA-N
XLogP-1.77
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 79579464
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532096
2-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 79579379
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
3-(propylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propane-1-sulfonamide
CID 106068101
5-(aminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64531590
2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine
CID 114810152
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 64530904
5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106067984

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide (CID 64532031) is 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide is NCCS(=O)(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is HPADASVFTGYKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2S/c7-2-4-14(12,13)10-3-1-6-8-5-9-11-6/h5,10H,1-4,7H2,(H,8,9,11).
What are the key properties of 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide?
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 219.27 g/mol, XLogP of -1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 64532031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).