4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine

C10H20N4O2S — CID 113424701

IUPAC4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
SMILESCCS(=O)(=O)CCn1cc(CCCCN)nn1
InChIInChI=1S/C10H20N4O2S/c1-2-17(15,16)8-7-14-9-10(12-13-14)5-3-4-6-11/h9H,2-8,11H2,1H3
InChIKeyGNDXEUPKYYDYFT-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.01
Rot. Bonds8

About 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine

4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine (PubChem CID 113424701) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
PubChem CID113424701
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
SMILESCCS(=O)(=O)CCn1cc(CCCCN)nn1
InChIInChI=1S/C10H20N4O2S/c1-2-17(15,16)8-7-14-9-10(12-13-14)5-3-4-6-11/h9H,2-8,11H2,1H3
InChIKeyGNDXEUPKYYDYFT-UHFFFAOYSA-N
XLogP-0.01
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220688
3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide
CID 106221658
3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220819
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
4-(bromomethyl)-1-(2-ethylsulfonylethyl)triazole
CID 62400113
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
CID 66194117
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
CID 104539266
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
4-hexyl-1-[2-(4-methylphenyl)sulfonylethyl]triazole
CID 102177684

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine?
The IUPAC name of 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine (CID 113424701) is 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine.
What is the SMILES notation for 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine?
The canonical SMILES for 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine is CCS(=O)(=O)CCn1cc(CCCCN)nn1.
What is the InChIKey of 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine?
The InChIKey is GNDXEUPKYYDYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-2-17(15,16)8-7-14-9-10(12-13-14)5-3-4-6-11/h9H,2-8,11H2,1H3.
What are the key properties of 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine?
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine has a molecular weight of 260.36 g/mol, XLogP of -0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine is sourced from PubChem (CID 113424701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).