(E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride

C5H10ClNO2S — CID 59361776

IUPAC(E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride
SMILESCN(C)C/C=C/S(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO2S/c1-7(2)4-3-5-10(6,8)9/h3,5H,4H2,1-2H3/b5-3+
InChIKeyWUIOVNBTCLOMCJ-HWKANZROSA-N
MW183.66 g/mol
LogP0.63
Rot. Bonds3

About (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride

(E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride (PubChem CID 59361776) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride
PubChem CID59361776
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Name(E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride
SMILESCN(C)C/C=C/S(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO2S/c1-7(2)4-3-5-10(6,8)9/h3,5H,4H2,1-2H3/b5-3+
InChIKeyWUIOVNBTCLOMCJ-HWKANZROSA-N
XLogP0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride?
The IUPAC name of (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride (CID 59361776) is (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride?
The canonical SMILES for (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride is CN(C)C/C=C/S(=O)(=O)Cl.
What is the InChIKey of (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride?
The InChIKey is WUIOVNBTCLOMCJ-HWKANZROSA-N. The full InChI is InChI=1S/C5H10ClNO2S/c1-7(2)4-3-5-10(6,8)9/h3,5H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride?
(E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride has a molecular weight of 183.66 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)prop-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 59361776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).