N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide

C12H18N2O2S — CID 114232059

IUPACN-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide
SMILESCNC(=O)CS(=O)CC(NC)c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-13-11(10-6-4-3-5-7-10)8-17(16)9-12(15)14-2/h3-7,11,13H,8-9H2,1-2H3,(H,14,15)
InChIKeyLYWDFFMKVWVIOP-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.44
Rot. Bonds6

About N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide

N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide (PubChem CID 114232059) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide
PubChem CID114232059
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide
SMILESCNC(=O)CS(=O)CC(NC)c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-13-11(10-6-4-3-5-7-10)8-17(16)9-12(15)14-2/h3-7,11,13H,8-9H2,1-2H3,(H,14,15)
InChIKeyLYWDFFMKVWVIOP-UHFFFAOYSA-N
XLogP0.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide?
The IUPAC name of N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide (CID 114232059) is N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide.
What is the SMILES notation for N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide?
The canonical SMILES for N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide is CNC(=O)CS(=O)CC(NC)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide?
The InChIKey is LYWDFFMKVWVIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13-11(10-6-4-3-5-7-10)8-17(16)9-12(15)14-2/h3-7,11,13H,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide?
N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide has a molecular weight of 254.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)-2-phenylethyl]sulfinylacetamide is sourced from PubChem (CID 114232059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).