(E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride

C6H17FN2O2S — CID 165398693

IUPAC(E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride
SMILESCNS(=O)(=O)/C=C/CN(C)C.F.[H][H]
InChIInChI=1S/C6H14N2O2S.FH.H2/c1-7-11(9,10)6-4-5-8(2)3;;/h4,6-7H,5H2,1-3H3;2*1H/b6-4+;;
InChIKeyUXBUZMKCZLEDQS-SLNOCBGISA-N
MW200.28 g/mol
LogP0.01
Rot. Bonds4

About (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride

(E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride (PubChem CID 165398693) has the molecular formula C6H17FN2O2S and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride
PubChem CID165398693
Molecular FormulaC6H17FN2O2S
Molecular Weight200.28 g/mol
Exact Mass200.10
IUPAC Name(E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride
SMILESCNS(=O)(=O)/C=C/CN(C)C.F.[H][H]
InChIInChI=1S/C6H14N2O2S.FH.H2/c1-7-11(9,10)6-4-5-8(2)3;;/h4,6-7H,5H2,1-3H3;2*1H/b6-4+;;
InChIKeyUXBUZMKCZLEDQS-SLNOCBGISA-N
XLogP0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride?
The IUPAC name of (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride (CID 165398693) is (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride.
What is the SMILES notation for (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride?
The canonical SMILES for (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride is CNS(=O)(=O)/C=C/CN(C)C.F.[H][H].
What is the InChIKey of (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride?
The InChIKey is UXBUZMKCZLEDQS-SLNOCBGISA-N. The full InChI is InChI=1S/C6H14N2O2S.FH.H2/c1-7-11(9,10)6-4-5-8(2)3;;/h4,6-7H,5H2,1-3H3;2*1H/b6-4+;;.
What are the key properties of (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride?
(E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride has a molecular weight of 200.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 165398693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).