N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide

C10H22N2O3S — CID 106402426

IUPACN-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
SMILESC=CCCOCCNS(=O)(=O)CCNCC
InChIInChI=1S/C10H22N2O3S/c1-3-5-8-15-9-6-12-16(13,14)10-7-11-4-2/h3,11-12H,1,4-10H2,2H3
InChIKeySSJSWMIYDMOOQW-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.11
Rot. Bonds11

About N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide

N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 106402426) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
PubChem CID106402426
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
SMILESC=CCCOCCNS(=O)(=O)CCNCC
InChIInChI=1S/C10H22N2O3S/c1-3-5-8-15-9-6-12-16(13,14)10-7-11-4-2/h3,11-12H,1,4-10H2,2H3
InChIKeySSJSWMIYDMOOQW-UHFFFAOYSA-N
XLogP0.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.11
H-Bond Donors ≤ 52
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

N-(2-but-3-enoxyethyl)propane-1-sulfonamide
CID 103854037
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
CID 114141365
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide
CID 114142609
2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide (CID 106402426) is N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide is C=CCCOCCNS(=O)(=O)CCNCC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is SSJSWMIYDMOOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-5-8-15-9-6-12-16(13,14)10-7-11-4-2/h3,11-12H,1,4-10H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide?
N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 106402426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).