(E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine

C8H17NO2S — CID 11286976

IUPAC(E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine
SMILESCCN(/C=C(\C)S(C)(=O)=O)CC
InChIInChI=1S/C8H17NO2S/c1-5-9(6-2)7-8(3)12(4,10)11/h7H,5-6H2,1-4H3/b8-7+
InChIKeyPZJDMXXWJCIPSS-BQYQJAHWSA-N
MW191.30 g/mol
LogP1.23
Rot. Bonds4

About (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine

(E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine (PubChem CID 11286976) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine
PubChem CID11286976
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine
SMILESCCN(/C=C(\C)S(C)(=O)=O)CC
InChIInChI=1S/C8H17NO2S/c1-5-9(6-2)7-8(3)12(4,10)11/h7H,5-6H2,1-4H3/b8-7+
InChIKeyPZJDMXXWJCIPSS-BQYQJAHWSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-methyl-2-methylsulfonyl-N-prop-1-en-2-ylprop-1-en-1-amine
CID 88936545
(E)-N-ethyl-N-methyl-3-propan-2-ylsulfonylprop-2-en-1-amine
CID 129118273
4,6-Dimethyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
CID 164763542
N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine
CID 170117422
N-(2-methylsulfonylethyl)-N-prop-2-enylprop-2-en-1-amine
CID 52342680

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine (CID 11286976) is (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine is CCN(/C=C(\C)S(C)(=O)=O)CC.
What is the InChIKey of (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine?
The InChIKey is PZJDMXXWJCIPSS-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-9(6-2)7-8(3)12(4,10)11/h7H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine?
(E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine has a molecular weight of 191.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-methylsulfonylprop-1-en-1-amine is sourced from PubChem (CID 11286976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).