2-(N,S-dimethylsulfonimidoyl)ethanamine

C4H12N2OS — CID 119056976

IUPAC2-(N,S-dimethylsulfonimidoyl)ethanamine
SMILESCN=S(C)(=O)CCN
InChIInChI=1S/C4H12N2OS/c1-6-8(2,7)4-3-5/h3-5H2,1-2H3
InChIKeyCOUXYPTWCPNSJX-UHFFFAOYSA-N
MW136.22 g/mol
LogP-0.33
Rot. Bonds2

About 2-(N,S-dimethylsulfonimidoyl)ethanamine

2-(N,S-dimethylsulfonimidoyl)ethanamine (PubChem CID 119056976) has the molecular formula C4H12N2OS and a molecular weight of 136.22 g/mol. Its IUPAC name is 2-(N,S-dimethylsulfonimidoyl)ethanamine.

Molecular Properties

Compound Name2-(N,S-dimethylsulfonimidoyl)ethanamine
PubChem CID119056976
Molecular FormulaC4H12N2OS
Molecular Weight136.22 g/mol
Exact Mass136.07
IUPAC Name2-(N,S-dimethylsulfonimidoyl)ethanamine
SMILESCN=S(C)(=O)CCN
InChIInChI=1S/C4H12N2OS/c1-6-8(2,7)4-3-5/h3-5H2,1-2H3
InChIKeyCOUXYPTWCPNSJX-UHFFFAOYSA-N
XLogP-0.33
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N,S-dimethylsulfonimidoyl)ethanamine?
The IUPAC name of 2-(N,S-dimethylsulfonimidoyl)ethanamine (CID 119056976) is 2-(N,S-dimethylsulfonimidoyl)ethanamine.
What is the SMILES notation for 2-(N,S-dimethylsulfonimidoyl)ethanamine?
The canonical SMILES for 2-(N,S-dimethylsulfonimidoyl)ethanamine is CN=S(C)(=O)CCN.
What is the InChIKey of 2-(N,S-dimethylsulfonimidoyl)ethanamine?
The InChIKey is COUXYPTWCPNSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2OS/c1-6-8(2,7)4-3-5/h3-5H2,1-2H3.
What are the key properties of 2-(N,S-dimethylsulfonimidoyl)ethanamine?
2-(N,S-dimethylsulfonimidoyl)ethanamine has a molecular weight of 136.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,S-dimethylsulfonimidoyl)ethanamine is sourced from PubChem (CID 119056976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).