N-methylpropanamide;1-methylsulfonylpropane

C8H19NO3S — CID 160744917

IUPACN-methylpropanamide;1-methylsulfonylpropane
SMILESCCC(=O)NC.CCCS(C)(=O)=O
InChIInChI=1S/C4H9NO.C4H10O2S/c1-3-4(6)5-2;1-3-4-7(2,5)6/h3H2,1-2H3,(H,5,6);3-4H2,1-2H3
InChIKeyRWBPQBSTUJZALJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.58
Rot. Bonds3

About N-methylpropanamide;1-methylsulfonylpropane

N-methylpropanamide;1-methylsulfonylpropane (PubChem CID 160744917) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-methylpropanamide;1-methylsulfonylpropane.

Molecular Properties

Compound NameN-methylpropanamide;1-methylsulfonylpropane
PubChem CID160744917
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-methylpropanamide;1-methylsulfonylpropane
SMILESCCC(=O)NC.CCCS(C)(=O)=O
InChIInChI=1S/C4H9NO.C4H10O2S/c1-3-4(6)5-2;1-3-4-7(2,5)6/h3H2,1-2H3,(H,5,6);3-4H2,1-2H3
InChIKeyRWBPQBSTUJZALJ-UHFFFAOYSA-N
XLogP0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methylpropanamide;1-methylsulfonylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylpropanamide;propane
CID 91316585
CID 160664038
CID 160664038
N-methyl-2-methylsulfonylacetamide
CID 58808409
pentakis(N-methylacetamide);N-methylethanesulfonamide;bis(N-methylmethanesulfonamide);bis(N-methylpropanamide)
CID 162162754
zinc;bis(N-methylpropanamide);dinitrate
CID 56843871
N-ethylmethanesulfonamide;N-methylbutanamide;N-methylhexanamide;N-methylpentanamide;N-methylpropanamide
CID 54559321
2-(ethylsulfonylamino)-N-methylacetamide
CID 61362851
N-methylpropanamide;prop-2-en-1-ol
CID 174821001
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
N-hydroxypropanamide;N-methylbutanamide
CID 158403694
N-ethyl-3-methylsulfonylpropanamide
CID 60759343
N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide
CID 60915783

Frequently Asked Questions

What is the IUPAC name of N-methylpropanamide;1-methylsulfonylpropane?
The IUPAC name of N-methylpropanamide;1-methylsulfonylpropane (CID 160744917) is N-methylpropanamide;1-methylsulfonylpropane.
What is the SMILES notation for N-methylpropanamide;1-methylsulfonylpropane?
The canonical SMILES for N-methylpropanamide;1-methylsulfonylpropane is CCC(=O)NC.CCCS(C)(=O)=O.
What is the InChIKey of N-methylpropanamide;1-methylsulfonylpropane?
The InChIKey is RWBPQBSTUJZALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H10O2S/c1-3-4(6)5-2;1-3-4-7(2,5)6/h3H2,1-2H3,(H,5,6);3-4H2,1-2H3.
What are the key properties of N-methylpropanamide;1-methylsulfonylpropane?
N-methylpropanamide;1-methylsulfonylpropane has a molecular weight of 209.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropanamide;1-methylsulfonylpropane is sourced from PubChem (CID 160744917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).