N-ethyl-3-ethylsulfonylprop-2-en-1-amine

C7H15NO2S — CID 57239555

IUPACN-ethyl-3-ethylsulfonylprop-2-en-1-amine
SMILESCCNCC=CS(=O)(=O)CC
InChIInChI=1S/C7H15NO2S/c1-3-8-6-5-7-11(9,10)4-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyGJNCKJSEZSWJBR-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.54
Rot. Bonds5

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

N-ethyl-3-ethylsulfonylprop-2-en-1-amine (PubChem CID 57239555) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-ethyl-3-ethylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-ethylsulfonylprop-2-en-1-amine
PubChem CID57239555
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-ethyl-3-ethylsulfonylprop-2-en-1-amine
SMILESCCNCC=CS(=O)(=O)CC
InChIInChI=1S/C7H15NO2S/c1-3-8-6-5-7-11(9,10)4-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyGJNCKJSEZSWJBR-UHFFFAOYSA-N
XLogP0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2e)-3-Methanesulfonylprop-2-en-1-amine
CID 15172420
4-Methanesulfonylbut-2-en-1-amine hydrochloride
CID 177798546
2-Allylamino-2-methyl-1-propane sulfonic acid
CID 87587694
3-ethylsulfonyl-N-fluoroprop-2-en-1-amine
CID 57289545
3-(Prop-2-enylamino)propane-1-sulfonic acid
CID 14664775
3-ethenylsulfonyl-N-ethylpropan-1-amine
CID 19883890
4-(Prop-2-enylamino)butane-1-sulfonic acid
CID 20531795
2-ethenylsulfonyl-N-methylethanamine
CID 53660641
3-Ethylsulfonylprop-2-en-1-amine
CID 56620607
3-ethylsulfonyl-N-(3-ethylsulfonylprop-2-enyl)prop-2-en-1-amine
CID 57010544
N-chloro-3-ethylsulfonylprop-2-en-1-amine
CID 57289716
3-(Methylamino)-2,3-dihydro-1lambda6-thiophene-1,1-dione
CID 58168806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-ethylsulfonylprop-2-en-1-amine?
The IUPAC name of N-ethyl-3-ethylsulfonylprop-2-en-1-amine (CID 57239555) is N-ethyl-3-ethylsulfonylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-ethylsulfonylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-3-ethylsulfonylprop-2-en-1-amine is CCNCC=CS(=O)(=O)CC.
What is the InChIKey of N-ethyl-3-ethylsulfonylprop-2-en-1-amine?
The InChIKey is GJNCKJSEZSWJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-8-6-5-7-11(9,10)4-2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-3-ethylsulfonylprop-2-en-1-amine?
N-ethyl-3-ethylsulfonylprop-2-en-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-ethylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 57239555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).