N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine

C7H14N2O3S — CID 114816692

IUPACN-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
SMILESC#CC(C)NS(=O)(=O)NCCOC
InChIInChI=1S/C7H14N2O3S/c1-4-7(2)9-13(10,11)8-5-6-12-3/h1,7-9H,5-6H2,2-3H3
InChIKeyQMKWQNRWZCXGIP-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.92
Rot. Bonds6

About N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine

N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine (PubChem CID 114816692) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
PubChem CID114816692
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
SMILESC#CC(C)NS(=O)(=O)NCCOC
InChIInChI=1S/C7H14N2O3S/c1-4-7(2)9-13(10,11)8-5-6-12-3/h1,7-9H,5-6H2,2-3H3
InChIKeyQMKWQNRWZCXGIP-UHFFFAOYSA-N
XLogP-0.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
CID 106223265
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
CID 114814837
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154148
N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
CID 114418198
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide
CID 114419155

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine?
The IUPAC name of N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine (CID 114816692) is N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine.
What is the SMILES notation for N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine?
The canonical SMILES for N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine is C#CC(C)NS(=O)(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine?
The InChIKey is QMKWQNRWZCXGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-4-7(2)9-13(10,11)8-5-6-12-3/h1,7-9H,5-6H2,2-3H3.
What are the key properties of N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine?
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine has a molecular weight of 206.27 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine is sourced from PubChem (CID 114816692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).