N-(2-but-3-enoxyethyl)propane-1-sulfonamide

C9H19NO3S — CID 103854037

IUPACN-(2-but-3-enoxyethyl)propane-1-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)CCC
InChIInChI=1S/C9H19NO3S/c1-3-5-7-13-8-6-10-14(11,12)9-4-2/h3,10H,1,4-9H2,2H3
InChIKeyGTEFOHMQMSDGFM-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.91
Rot. Bonds9

About N-(2-but-3-enoxyethyl)propane-1-sulfonamide

N-(2-but-3-enoxyethyl)propane-1-sulfonamide (PubChem CID 103854037) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)propane-1-sulfonamide
PubChem CID103854037
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-(2-but-3-enoxyethyl)propane-1-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)CCC
InChIInChI=1S/C9H19NO3S/c1-3-5-7-13-8-6-10-14(11,12)9-4-2/h3,10H,1,4-9H2,2H3
InChIKeyGTEFOHMQMSDGFM-UHFFFAOYSA-N
XLogP0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-(ethylamino)ethanesulfonamide
CID 106402426
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
N-(2-butoxyethyl)-4-chlorobutane-1-sulfonamide
CID 116815923
4-N-(2-but-3-enoxyethyl)benzene-1,4-disulfonamide
CID 103854020
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
CID 106410034
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(propylamino)ethanesulfonamide
CID 114142609
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide
CID 103950985
methyl 4-(2-butoxyethylsulfamoyl)butanoate
CID 54951970
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
4-ethoxybut-1-ene
CID 533994

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-but-3-enoxyethyl)propane-1-sulfonamide (CID 103854037) is N-(2-but-3-enoxyethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)propane-1-sulfonamide is C=CCCOCCNS(=O)(=O)CCC.
What is the InChIKey of N-(2-but-3-enoxyethyl)propane-1-sulfonamide?
The InChIKey is GTEFOHMQMSDGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-5-7-13-8-6-10-14(11,12)9-4-2/h3,10H,1,4-9H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)propane-1-sulfonamide?
N-(2-but-3-enoxyethyl)propane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 103854037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).