4-ethylsulfonylbut-3-en-1-amine

C6H13NO2S — CID 57031269

IUPAC4-ethylsulfonylbut-3-en-1-amine
SMILESCCS(=O)(=O)C=CCCN
InChIInChI=1S/C6H13NO2S/c1-2-10(8,9)6-4-3-5-7/h4,6H,2-3,5,7H2,1H3
InChIKeyFTUPLBCYTQYCJR-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.28
Rot. Bonds4

About 4-ethylsulfonylbut-3-en-1-amine

4-ethylsulfonylbut-3-en-1-amine (PubChem CID 57031269) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-ethylsulfonylbut-3-en-1-amine.

Molecular Properties

Compound Name4-ethylsulfonylbut-3-en-1-amine
PubChem CID57031269
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name4-ethylsulfonylbut-3-en-1-amine
SMILESCCS(=O)(=O)C=CCCN
InChIInChI=1S/C6H13NO2S/c1-2-10(8,9)6-4-3-5-7/h4,6H,2-3,5,7H2,1H3
InChIKeyFTUPLBCYTQYCJR-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
N-methylbut-3-ene-1-sulfonamide
CID 57167241
N-ethylbut-3-ene-1-sulfonamide
CID 130725638
3-ethylsulfonyl-N-fluoroprop-2-en-1-amine
CID 57289545
N-allyl-n-butanesulfamide
CID 13498652
N-prop-2-enylbut-3-ene-1-sulfonamide
CID 84480039
N-but-3-enylprop-2-ene-1-sulfonamide
CID 116033650
N-prop-2-enylpropane-2-sulfonamide
CID 237362
N-allylpropane-1-sulfonamide
CID 237363

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonylbut-3-en-1-amine?
The IUPAC name of 4-ethylsulfonylbut-3-en-1-amine (CID 57031269) is 4-ethylsulfonylbut-3-en-1-amine.
What is the SMILES notation for 4-ethylsulfonylbut-3-en-1-amine?
The canonical SMILES for 4-ethylsulfonylbut-3-en-1-amine is CCS(=O)(=O)C=CCCN.
What is the InChIKey of 4-ethylsulfonylbut-3-en-1-amine?
The InChIKey is FTUPLBCYTQYCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-10(8,9)6-4-3-5-7/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 4-ethylsulfonylbut-3-en-1-amine?
4-ethylsulfonylbut-3-en-1-amine has a molecular weight of 163.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonylbut-3-en-1-amine is sourced from PubChem (CID 57031269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).