2-but-3-enylsulfonylethanamine

C6H13NO2S — CID 58684979

IUPAC2-but-3-enylsulfonylethanamine
SMILESC=CCCS(=O)(=O)CCN
InChIInChI=1S/C6H13NO2S/c1-2-3-5-10(8,9)6-4-7/h2H,1,3-7H2
InChIKeyAXCIFMQVOMZLFL-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.06
Rot. Bonds5

About 2-but-3-enylsulfonylethanamine

2-but-3-enylsulfonylethanamine (PubChem CID 58684979) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-but-3-enylsulfonylethanamine.

Molecular Properties

Compound Name2-but-3-enylsulfonylethanamine
PubChem CID58684979
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-but-3-enylsulfonylethanamine
SMILESC=CCCS(=O)(=O)CCN
InChIInChI=1S/C6H13NO2S/c1-2-3-5-10(8,9)6-4-7/h2H,1,3-7H2
InChIKeyAXCIFMQVOMZLFL-UHFFFAOYSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-2,3-dihydro-1lambda6-thiophene-1,1-dione hydrochloride
CID 12844438
3-Amino-2,3-dihydrothiophene 1,1-dioxide
CID 2772218
3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
N-ethylbut-3-ene-1-sulfonamide
CID 130725638
3-(2-Fluoroprop-2-enylsulfonyl)propan-1-amine
CID 58685099
N-prop-2-enylbut-3-ene-1-sulfonamide
CID 84480039
N-but-3-enylprop-2-ene-1-sulfonamide
CID 116033650
(R)-3-Amino-2,3-dihydrothiophene 1,1-dioxide
CID 7059050
(3S)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 7059052
3-Ethenylsulfonylpropan-1-amine
CID 19078170
N-(1-methylsulfonylbut-3-enyl)methanesulfonamide
CID 22082529
3-Ethylsulfonylprop-2-en-1-amine
CID 56620607

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enylsulfonylethanamine?
The IUPAC name of 2-but-3-enylsulfonylethanamine (CID 58684979) is 2-but-3-enylsulfonylethanamine.
What is the SMILES notation for 2-but-3-enylsulfonylethanamine?
The canonical SMILES for 2-but-3-enylsulfonylethanamine is C=CCCS(=O)(=O)CCN.
What is the InChIKey of 2-but-3-enylsulfonylethanamine?
The InChIKey is AXCIFMQVOMZLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-3-5-10(8,9)6-4-7/h2H,1,3-7H2.
What are the key properties of 2-but-3-enylsulfonylethanamine?
2-but-3-enylsulfonylethanamine has a molecular weight of 163.24 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylsulfonylethanamine is sourced from PubChem (CID 58684979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).