3-ethylsulfonylprop-2-en-1-amine

C5H11NO2S — CID 56620607

IUPAC3-ethylsulfonylprop-2-en-1-amine
SMILESCCS(=O)(=O)C=CCN
InChIInChI=1S/C5H11NO2S/c1-2-9(7,8)5-3-4-6/h3,5H,2,4,6H2,1H3
InChIKeyHIRTVDUNUIMUQK-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.11
Rot. Bonds3

About 3-ethylsulfonylprop-2-en-1-amine

3-ethylsulfonylprop-2-en-1-amine (PubChem CID 56620607) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 3-ethylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound Name3-ethylsulfonylprop-2-en-1-amine
PubChem CID56620607
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name3-ethylsulfonylprop-2-en-1-amine
SMILESCCS(=O)(=O)C=CCN
InChIInChI=1S/C5H11NO2S/c1-2-9(7,8)5-3-4-6/h3,5H,2,4,6H2,1H3
InChIKeyHIRTVDUNUIMUQK-UHFFFAOYSA-N
XLogP-0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Allylmethanesulfonamide
CID 4675024
N-allylethenesulfonamide
CID 20462682
(2e)-3-Methanesulfonylprop-2-en-1-amine
CID 15172420
2-methyl-N-(prop-2-en-1-yl)propane-2-sulfonamide
CID 64592118
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
2-(Methylsulfonyl)-2-propen-1-amine
CID 12356767
N-ethylbut-3-ene-1-sulfonamide
CID 130725638
3-ethylsulfonyl-N-fluoroprop-2-en-1-amine
CID 57289545
(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine
CID 162481050
3-Aminopropen-2-yl butylsulfone
CID 12356769

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonylprop-2-en-1-amine?
The IUPAC name of 3-ethylsulfonylprop-2-en-1-amine (CID 56620607) is 3-ethylsulfonylprop-2-en-1-amine.
What is the SMILES notation for 3-ethylsulfonylprop-2-en-1-amine?
The canonical SMILES for 3-ethylsulfonylprop-2-en-1-amine is CCS(=O)(=O)C=CCN.
What is the InChIKey of 3-ethylsulfonylprop-2-en-1-amine?
The InChIKey is HIRTVDUNUIMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-9(7,8)5-3-4-6/h3,5H,2,4,6H2,1H3.
What are the key properties of 3-ethylsulfonylprop-2-en-1-amine?
3-ethylsulfonylprop-2-en-1-amine has a molecular weight of 149.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 56620607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).