2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide

C9H19N5O2S — CID 62118702

IUPAC2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC(C)c1nncn1C
InChIInChI=1S/C9H19N5O2S/c1-4-10-5-6-17(15,16)13-8(2)9-12-11-7-14(9)3/h7-8,10,13H,4-6H2,1-3H3
InChIKeySNDVBRVIFDMLIA-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.60
Rot. Bonds7

About 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide

2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 62118702) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
PubChem CID62118702
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC(C)c1nncn1C
InChIInChI=1S/C9H19N5O2S/c1-4-10-5-6-17(15,16)13-8(2)9-12-11-7-14(9)3/h7-8,10,13H,4-6H2,1-3H3
InChIKeySNDVBRVIFDMLIA-UHFFFAOYSA-N
XLogP-0.60
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide
CID 62118697
N-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 131899476
1-[4-(aminomethyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 62117160
4-(ethylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106004702
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655
2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 94638328
1-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 131938947
3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
CID 62119018
N'-tert-butyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 107445034
4-(aminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62116978
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61253512
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanenitrile
CID 62117721

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide (CID 62118702) is 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide is CCNCCS(=O)(=O)NC(C)c1nncn1C.
What is the InChIKey of 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is SNDVBRVIFDMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-4-10-5-6-17(15,16)13-8(2)9-12-11-7-14(9)3/h7-8,10,13H,4-6H2,1-3H3.
What are the key properties of 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide?
2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 62118702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).