(E)-N,N-dimethyl-2-methylsulfonylethenamine

C5H11NO2S — CID 12950462

IUPAC(E)-N,N-dimethyl-2-methylsulfonylethenamine
SMILESCN(C)/C=C/S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6(2)4-5-9(3,7)8/h4-5H,1-3H3/b5-4+
InChIKeyCSDXDIKWDCPBNJ-SNAWJCMRSA-N
MW149.21 g/mol
LogP0.06
Rot. Bonds2

About (E)-N,N-dimethyl-2-methylsulfonylethenamine

(E)-N,N-dimethyl-2-methylsulfonylethenamine (PubChem CID 12950462) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-methylsulfonylethenamine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-methylsulfonylethenamine
PubChem CID12950462
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(E)-N,N-dimethyl-2-methylsulfonylethenamine
SMILESCN(C)/C=C/S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6(2)4-5-9(3,7)8/h4-5H,1-3H3/b5-4+
InChIKeyCSDXDIKWDCPBNJ-SNAWJCMRSA-N
XLogP0.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.06
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-2-methylsulfonylethenamine?
The IUPAC name of (E)-N,N-dimethyl-2-methylsulfonylethenamine (CID 12950462) is (E)-N,N-dimethyl-2-methylsulfonylethenamine.
What is the SMILES notation for (E)-N,N-dimethyl-2-methylsulfonylethenamine?
The canonical SMILES for (E)-N,N-dimethyl-2-methylsulfonylethenamine is CN(C)/C=C/S(C)(=O)=O.
What is the InChIKey of (E)-N,N-dimethyl-2-methylsulfonylethenamine?
The InChIKey is CSDXDIKWDCPBNJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6(2)4-5-9(3,7)8/h4-5H,1-3H3/b5-4+.
What are the key properties of (E)-N,N-dimethyl-2-methylsulfonylethenamine?
(E)-N,N-dimethyl-2-methylsulfonylethenamine has a molecular weight of 149.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-methylsulfonylethenamine is sourced from PubChem (CID 12950462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).