N-(methylsulfanylmethyl)-N-methylsulfonylacetamide

C5H11NO3S2 — CID 157132477

IUPACN-(methylsulfanylmethyl)-N-methylsulfonylacetamide
SMILESCSCN(C(C)=O)S(C)(=O)=O
InChIInChI=1S/C5H11NO3S2/c1-5(7)6(4-10-2)11(3,8)9/h4H2,1-3H3
InChIKeyCXMSJOQYGVLCCH-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.12
Rot. Bonds3

About N-(methylsulfanylmethyl)-N-methylsulfonylacetamide

N-(methylsulfanylmethyl)-N-methylsulfonylacetamide (PubChem CID 157132477) has the molecular formula C5H11NO3S2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(methylsulfanylmethyl)-N-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(methylsulfanylmethyl)-N-methylsulfonylacetamide
PubChem CID157132477
Molecular FormulaC5H11NO3S2
Molecular Weight197.28 g/mol
Exact Mass197.02
IUPAC NameN-(methylsulfanylmethyl)-N-methylsulfonylacetamide
SMILESCSCN(C(C)=O)S(C)(=O)=O
InChIInChI=1S/C5H11NO3S2/c1-5(7)6(4-10-2)11(3,8)9/h4H2,1-3H3
InChIKeyCXMSJOQYGVLCCH-UHFFFAOYSA-N
XLogP0.12
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methylsulfonyl-N-(2-sulfanylethyl)acetamide
CID 154588785
N-butyl-N-methylsulfonylacetamide
CID 45377177
2-[acetyl(sulfo)amino]-4-methylsulfanylbutanoic acid
CID 174703723
3-[bis(methylsulfonyl)amino]propanoic acid
CID 87416675
acetic acid;methanesulfonic acid;propanoic acid
CID 87710299
acetic acid;sulfuric acid
CID 172861121
methane;methylsulfonylmethane;propan-2-one
CID 169426360
acetic acid;sulfuric acid
CID 158118264
methanesulfonic acid;methylsulfanylmethane
CID 174896398
acetic acid;sulfuric acid
CID 157312003
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
potassium;acetyl(2,2,2-trifluoroethyl)sulfamic acid;hydride
CID 173392620

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfanylmethyl)-N-methylsulfonylacetamide?
The IUPAC name of N-(methylsulfanylmethyl)-N-methylsulfonylacetamide (CID 157132477) is N-(methylsulfanylmethyl)-N-methylsulfonylacetamide.
What is the SMILES notation for N-(methylsulfanylmethyl)-N-methylsulfonylacetamide?
The canonical SMILES for N-(methylsulfanylmethyl)-N-methylsulfonylacetamide is CSCN(C(C)=O)S(C)(=O)=O.
What is the InChIKey of N-(methylsulfanylmethyl)-N-methylsulfonylacetamide?
The InChIKey is CXMSJOQYGVLCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S2/c1-5(7)6(4-10-2)11(3,8)9/h4H2,1-3H3.
What are the key properties of N-(methylsulfanylmethyl)-N-methylsulfonylacetamide?
N-(methylsulfanylmethyl)-N-methylsulfonylacetamide has a molecular weight of 197.28 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfanylmethyl)-N-methylsulfonylacetamide is sourced from PubChem (CID 157132477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).