N,N-dimethylacetamide;methylsulfinylmethane;hydrate

C6H17NO3S — CID 19812504

IUPACN,N-dimethylacetamide;methylsulfinylmethane;hydrate
SMILESCC(=O)N(C)C.CS(C)=O.O
InChIInChI=1S/C4H9NO.C2H6OS.H2O/c1-4(6)5(2)3;1-4(2)3;/h1-3H3;1-2H3;1H2
InChIKeyMUPGEKCXQAOWCJ-UHFFFAOYSA-N
MW183.27 g/mol
LogP-0.74
Rot. Bonds

About N,N-dimethylacetamide;methylsulfinylmethane;hydrate

N,N-dimethylacetamide;methylsulfinylmethane;hydrate (PubChem CID 19812504) has the molecular formula C6H17NO3S and a molecular weight of 183.27 g/mol. Its IUPAC name is N,N-dimethylacetamide;methylsulfinylmethane;hydrate.

Molecular Properties

Compound NameN,N-dimethylacetamide;methylsulfinylmethane;hydrate
PubChem CID19812504
Molecular FormulaC6H17NO3S
Molecular Weight183.27 g/mol
Exact Mass183.09
IUPAC NameN,N-dimethylacetamide;methylsulfinylmethane;hydrate
SMILESCC(=O)N(C)C.CS(C)=O.O
InChIInChI=1S/C4H9NO.C2H6OS.H2O/c1-4(6)5(2)3;1-4(2)3;/h1-3H3;1-2H3;1H2
InChIKeyMUPGEKCXQAOWCJ-UHFFFAOYSA-N
XLogP-0.74
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;methylsulfinylmethane;hydrate?
The IUPAC name of N,N-dimethylacetamide;methylsulfinylmethane;hydrate (CID 19812504) is N,N-dimethylacetamide;methylsulfinylmethane;hydrate.
What is the SMILES notation for N,N-dimethylacetamide;methylsulfinylmethane;hydrate?
The canonical SMILES for N,N-dimethylacetamide;methylsulfinylmethane;hydrate is CC(=O)N(C)C.CS(C)=O.O.
What is the InChIKey of N,N-dimethylacetamide;methylsulfinylmethane;hydrate?
The InChIKey is MUPGEKCXQAOWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6OS.H2O/c1-4(6)5(2)3;1-4(2)3;/h1-3H3;1-2H3;1H2.
What are the key properties of N,N-dimethylacetamide;methylsulfinylmethane;hydrate?
N,N-dimethylacetamide;methylsulfinylmethane;hydrate has a molecular weight of 183.27 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;methylsulfinylmethane;hydrate is sourced from PubChem (CID 19812504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).