4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide

C10H22N2O3S — CID 103340731

IUPAC4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)CCCCN
InChIInChI=1S/C10H22N2O3S/c1-3-7-12(8-9-15-2)16(13,14)10-5-4-6-11/h3H,1,4-11H2,2H3
InChIKeyGNQTZWSIZURMOX-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.19
Rot. Bonds10

About 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide

4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide (PubChem CID 103340731) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide
PubChem CID103340731
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)CCCCN
InChIInChI=1S/C10H22N2O3S/c1-3-7-12(8-9-15-2)16(13,14)10-5-4-6-11/h3H,1,4-11H2,2H3
InChIKeyGNQTZWSIZURMOX-UHFFFAOYSA-N
XLogP0.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-methoxyethyl)-N-prop-2-enylethanesulfonamide
CID 103339659
N-(3-aminopropyl)-N-(2-methoxyethyl)butane-1-sulfonamide
CID 63287729
N'-(2-methoxyethyl)-N'-prop-2-enylpropane-1,3-diamine
CID 103339366
4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide
CID 116816411
N,N-bis(prop-2-enyl)octane-1-sulfonamide
CID 88561748
N-(2-aminoethyl)-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290294
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-methylsulfonylmethanesulfonamide
CID 82839573
4-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpiperidine-1-sulfonamide
CID 103340728
1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
4-[[2-methoxyethyl(prop-2-enyl)sulfamoyl]methyl]benzoic acid
CID 103338521
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylbenzenesulfonamide
CID 103340514
N-(2-aminoethyl)-N-butyl-2-methoxyethanesulfonamide
CID 63765608

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide (CID 103340731) is 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide is C=CCN(CCOC)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide?
The InChIKey is GNQTZWSIZURMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-7-12(8-9-15-2)16(13,14)10-5-4-6-11/h3H,1,4-11H2,2H3.
What are the key properties of 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide?
4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide is sourced from PubChem (CID 103340731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).