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

C6H13NO2S — CID 89409037

IUPAC(E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine
SMILESCN(C)C/C=C/S(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-7(2)5-4-6-10(3,8)9/h4,6H,5H2,1-3H3/b6-4+
InChIKeyRXMUXTJDTCBZAZ-GQCTYLIASA-N
MW163.24 g/mol
LogP0.11
Rot. Bonds3

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

(E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine (PubChem CID 89409037) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine
PubChem CID89409037
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine
SMILESCN(C)C/C=C/S(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-7(2)5-4-6-10(3,8)9/h4,6H,5H2,1-3H3/b6-4+
InChIKeyRXMUXTJDTCBZAZ-GQCTYLIASA-N
XLogP0.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.11
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-methylsulfonylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine (CID 89409037) is (E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine is CN(C)C/C=C/S(C)(=O)=O.
What is the InChIKey of (E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine?
The InChIKey is RXMUXTJDTCBZAZ-GQCTYLIASA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7(2)5-4-6-10(3,8)9/h4,6H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-methylsulfonylprop-2-en-1-amine has a molecular weight of 163.24 g/mol, XLogP of 0.11, 3 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-methylsulfonylprop-2-en-1-amine is sourced from PubChem (CID 89409037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).