N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine

C10H20N4O2S — CID 66194117

IUPACN-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCS(=O)(=O)CC)nn1
InChIInChI=1S/C10H20N4O2S/c1-3-5-11-8-10-9-14(13-12-10)6-7-17(15,16)4-2/h9,11H,3-8H2,1-2H3
InChIKeyYQYATNSZGPVXSF-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.21
Rot. Bonds8

About N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine

N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine (PubChem CID 66194117) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
PubChem CID66194117
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC NameN-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCS(=O)(=O)CC)nn1
InChIInChI=1S/C10H20N4O2S/c1-3-5-11-8-10-9-14(13-12-10)6-7-17(15,16)4-2/h9,11H,3-8H2,1-2H3
InChIKeyYQYATNSZGPVXSF-UHFFFAOYSA-N
XLogP0.21
TPSA76.88 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 ≤ 50.21
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

N-[(1-pentyltriazol-4-yl)methyl]propan-1-amine
CID 66194122
4-(bromomethyl)-1-(2-ethylsulfonylethyl)triazole
CID 62400113
4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
N-[[1-[2-(4-bromopyrazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62440961
N,N-dimethyl-4-[4-(propylaminomethyl)triazol-1-yl]butanamide
CID 66193355
N-[[1-(2-ethylbutyl)triazol-4-yl]methyl]propan-1-amine
CID 82931017
N-methyl-N-[2-[4-(propylaminomethyl)triazol-1-yl]ethyl]pentan-1-amine
CID 55074649
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 103014130
N-[[1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62433705
N-[[1-(3-phenoxypropyl)triazol-4-yl]methyl]propan-1-amine
CID 66192386
N-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 114413045
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine (CID 66194117) is N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCS(=O)(=O)CC)nn1.
What is the InChIKey of N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine?
The InChIKey is YQYATNSZGPVXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-3-5-11-8-10-9-14(13-12-10)6-7-17(15,16)4-2/h9,11H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine?
N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine has a molecular weight of 260.36 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfonylethyl)triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66194117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).