(E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine

C8H17NO2S — CID 129118271

IUPAC(E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine
SMILESCC(C)S(=O)(=O)/C=C/CN(C)C
InChIInChI=1S/C8H17NO2S/c1-8(2)12(10,11)7-5-6-9(3)4/h5,7-8H,6H2,1-4H3/b7-5+
InChIKeyFWURKLGMVKLEBD-FNORWQNLSA-N
MW191.30 g/mol
LogP0.88
Rot. Bonds4

About (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine

(E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine (PubChem CID 129118271) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine
PubChem CID129118271
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine
SMILESCC(C)S(=O)(=O)/C=C/CN(C)C
InChIInChI=1S/C8H17NO2S/c1-8(2)12(10,11)7-5-6-9(3)4/h5,7-8H,6H2,1-4H3/b7-5+
InChIKeyFWURKLGMVKLEBD-FNORWQNLSA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine (CID 129118271) is (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine is CC(C)S(=O)(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine?
The InChIKey is FWURKLGMVKLEBD-FNORWQNLSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2)12(10,11)7-5-6-9(3)4/h5,7-8H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-propan-2-ylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 129118271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).