2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide

C12H24N4O3S — CID 156664434

IUPAC2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C12H24N4O3S/c1-12(2,3)20(17)14-5-8-18-10-11-19-9-7-16-6-4-13-15-16/h4,6,14H,5,7-11H2,1-3H3
InChIKeyMANJJEBGZXYZRE-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.36
Rot. Bonds10

About 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide

2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide (PubChem CID 156664434) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide
PubChem CID156664434
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCCOCCOCCn1ccnn1
InChIInChI=1S/C12H24N4O3S/c1-12(2,3)20(17)14-5-8-18-10-11-19-9-7-16-6-4-13-15-16/h4,6,14H,5,7-11H2,1-3H3
InChIKeyMANJJEBGZXYZRE-UHFFFAOYSA-N
XLogP0.36
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.36
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

2-[2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 152587081
N-methyl-2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 153625811
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propan-2-amine
CID 156664288
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
CID 156664332
2,2-dimethylpropane;2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfonamide
CID 161118551
N-[2-[2-[2-(triazol-1-yl)ethoxy]propoxy]ethyl]methanesulfonamide
CID 163856234
1-[2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethoxy]pent-3-yn-1-amine
CID 169963987
2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethanamine
CID 171058783
N-[2-(3-methoxypropoxy)ethyl]-2-(triazol-1-yl)ethanamine
CID 103179432
N-[2-(2-methoxyethoxy)ethyl]-2-(triazol-1-yl)ethanamine
CID 104444447
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(triazol-1-yl)ethanamine
CID 104444480
N-[2-(2-methoxyethoxy)ethyl]-3-(triazol-1-yl)propan-1-amine
CID 104444832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide (CID 156664434) is 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide is CC(C)(C)S(=O)NCCOCCOCCn1ccnn1.
What is the InChIKey of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide?
The InChIKey is MANJJEBGZXYZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-12(2,3)20(17)14-5-8-18-10-11-19-9-7-16-6-4-13-15-16/h4,6,14H,5,7-11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide?
2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide has a molecular weight of 304.42 g/mol, XLogP of 0.36, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethyl]propane-2-sulfinamide is sourced from PubChem (CID 156664434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).