2-[(E)-but-2-enyl]sulfonylethanamine

C6H13NO2S — CID 58684635

IUPAC2-[(E)-but-2-enyl]sulfonylethanamine
SMILESC/C=C/CS(=O)(=O)CCN
InChIInChI=1S/C6H13NO2S/c1-2-3-5-10(8,9)6-4-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyAAMYPFLXSHCGKR-NSCUHMNNSA-N
MW163.24 g/mol
LogP-0.06
Rot. Bonds4

About 2-[(E)-but-2-enyl]sulfonylethanamine

2-[(E)-but-2-enyl]sulfonylethanamine (PubChem CID 58684635) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]sulfonylethanamine.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]sulfonylethanamine
PubChem CID58684635
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-[(E)-but-2-enyl]sulfonylethanamine
SMILESC/C=C/CS(=O)(=O)CCN
InChIInChI=1S/C6H13NO2S/c1-2-3-5-10(8,9)6-4-7/h2-3H,4-7H2,1H3/b3-2+
InChIKeyAAMYPFLXSHCGKR-NSCUHMNNSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2e)-3-Methanesulfonylprop-2-en-1-amine
CID 15172420
3-(2-Aminoethanesulfonyl)prop-1-ene hydrochloride
CID 75480358
4-(Ethanesulfonyl)but-2-en-1-amine hydrochloride
CID 177798537
4-Methanesulfonylbut-2-en-1-amine hydrochloride
CID 177798546
3-ethylsulfonyl-N-fluoroprop-2-en-1-amine
CID 57289545
2-(2-Fluoroprop-2-enylsulfonyl)ethanamine
CID 58684671
(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine
CID 162481050
3-Aminopropen-2-yl butylsulfone
CID 12356769
N-allyl-n-butanesulfamide
CID 13498652
N-prop-2-enylpropane-2-sulfonamide
CID 237362
N-allylpropane-1-sulfonamide
CID 237363
N-ethylprop-2-ene-1-sulfonamide
CID 261059

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]sulfonylethanamine?
The IUPAC name of 2-[(E)-but-2-enyl]sulfonylethanamine (CID 58684635) is 2-[(E)-but-2-enyl]sulfonylethanamine.
What is the SMILES notation for 2-[(E)-but-2-enyl]sulfonylethanamine?
The canonical SMILES for 2-[(E)-but-2-enyl]sulfonylethanamine is C/C=C/CS(=O)(=O)CCN.
What is the InChIKey of 2-[(E)-but-2-enyl]sulfonylethanamine?
The InChIKey is AAMYPFLXSHCGKR-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-3-5-10(8,9)6-4-7/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enyl]sulfonylethanamine?
2-[(E)-but-2-enyl]sulfonylethanamine has a molecular weight of 163.24 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]sulfonylethanamine is sourced from PubChem (CID 58684635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).