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

C5H10ClNO2S — CID 57289716

IUPACN-chloro-3-ethylsulfonylprop-2-en-1-amine
SMILESCCS(=O)(=O)C=CCNCl
InChIInChI=1S/C5H10ClNO2S/c1-2-10(8,9)5-3-4-7-6/h3,5,7H,2,4H2,1H3
InChIKeyBZTFUZBGEDAVBV-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.68
Rot. Bonds4

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

N-chloro-3-ethylsulfonylprop-2-en-1-amine (PubChem CID 57289716) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is N-chloro-3-ethylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound NameN-chloro-3-ethylsulfonylprop-2-en-1-amine
PubChem CID57289716
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC NameN-chloro-3-ethylsulfonylprop-2-en-1-amine
SMILESCCS(=O)(=O)C=CCNCl
InChIInChI=1S/C5H10ClNO2S/c1-2-10(8,9)5-3-4-7-6/h3,5,7H,2,4H2,1H3
InChIKeyBZTFUZBGEDAVBV-UHFFFAOYSA-N
XLogP0.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-3-ethylsulfonylprop-2-en-1-amine?
The IUPAC name of N-chloro-3-ethylsulfonylprop-2-en-1-amine (CID 57289716) is N-chloro-3-ethylsulfonylprop-2-en-1-amine.
What is the SMILES notation for N-chloro-3-ethylsulfonylprop-2-en-1-amine?
The canonical SMILES for N-chloro-3-ethylsulfonylprop-2-en-1-amine is CCS(=O)(=O)C=CCNCl.
What is the InChIKey of N-chloro-3-ethylsulfonylprop-2-en-1-amine?
The InChIKey is BZTFUZBGEDAVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO2S/c1-2-10(8,9)5-3-4-7-6/h3,5,7H,2,4H2,1H3.
What are the key properties of N-chloro-3-ethylsulfonylprop-2-en-1-amine?
N-chloro-3-ethylsulfonylprop-2-en-1-amine has a molecular weight of 183.66 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-3-ethylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 57289716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).