N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide

C9H19N5O2S — CID 114222897

IUPACN-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide
SMILESCCCn1nncc1NCCS(=O)(=O)NCC
InChIInChI=1S/C9H19N5O2S/c1-3-6-14-9(8-11-13-14)10-5-7-17(15,16)12-4-2/h8,10,12H,3-7H2,1-2H3
InChIKeyAAJOUDOBQKKIRZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.04
Rot. Bonds8

About N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide

N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide (PubChem CID 114222897) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide
PubChem CID114222897
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide
SMILESCCCn1nncc1NCCS(=O)(=O)NCC
InChIInChI=1S/C9H19N5O2S/c1-3-6-14-9(8-11-13-14)10-5-7-17(15,16)12-4-2/h8,10,12H,3-7H2,1-2H3
InChIKeyAAJOUDOBQKKIRZ-UHFFFAOYSA-N
XLogP0.04
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
CID 114222854
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine
CID 114222902
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
CID 114222846
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
N-ethyl-2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 106338169
N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114222797
N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
CID 103858115
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
6-[2-(ethylsulfamoyl)ethylamino]pyrazine-2-carboxylic acid
CID 106339900
N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
CID 114223433
1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol
CID 114222733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide (CID 114222897) is N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide is CCCn1nncc1NCCS(=O)(=O)NCC.
What is the InChIKey of N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide?
The InChIKey is AAJOUDOBQKKIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-3-6-14-9(8-11-13-14)10-5-7-17(15,16)12-4-2/h8,10,12H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide?
N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide has a molecular weight of 261.35 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 114222897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).