3-ethylsulfonyl-N-fluoroprop-2-en-1-amine

C5H10FNO2S — CID 57289545

IUPAC3-ethylsulfonyl-N-fluoroprop-2-en-1-amine
SMILESCCS(=O)(=O)C=CCNF
InChIInChI=1S/C5H10FNO2S/c1-2-10(8,9)5-3-4-7-6/h3,5,7H,2,4H2,1H3
InChIKeyZXDXALYUCZQTRQ-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.41
Rot. Bonds4

About 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine

3-ethylsulfonyl-N-fluoroprop-2-en-1-amine (PubChem CID 57289545) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name3-ethylsulfonyl-N-fluoroprop-2-en-1-amine
PubChem CID57289545
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name3-ethylsulfonyl-N-fluoroprop-2-en-1-amine
SMILESCCS(=O)(=O)C=CCNF
InChIInChI=1S/C5H10FNO2S/c1-2-10(8,9)5-3-4-7-6/h3,5,7H,2,4H2,1H3
InChIKeyZXDXALYUCZQTRQ-UHFFFAOYSA-N
XLogP0.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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
2-(Methylsulfonyl)-2-propen-1-amine
CID 12356767
3-ethenylsulfonyl-N-fluoropropan-1-amine
CID 53898613
(Z)-3-fluoro-4-methylsulfonylbut-2-en-1-amine
CID 162481050
N-allyl-n-butanesulfamide
CID 13498652
4,4-Difluoro-4-methylsulfonylbut-2-en-1-amine
CID 164843125
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 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine?
The IUPAC name of 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine (CID 57289545) is 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine.
What is the SMILES notation for 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine?
The canonical SMILES for 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine is CCS(=O)(=O)C=CCNF.
What is the InChIKey of 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine?
The InChIKey is ZXDXALYUCZQTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c1-2-10(8,9)5-3-4-7-6/h3,5,7H,2,4H2,1H3.
What are the key properties of 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine?
3-ethylsulfonyl-N-fluoroprop-2-en-1-amine has a molecular weight of 167.20 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-fluoroprop-2-en-1-amine is sourced from PubChem (CID 57289545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).