N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide

C11H21NO3S — CID 131913293

IUPACN-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide
SMILESCCC1(CNC(=O)CCS(C)(=O)=O)CCC1
InChIInChI=1S/C11H21NO3S/c1-3-11(6-4-7-11)9-12-10(13)5-8-16(2,14)15/h3-9H2,1-2H3,(H,12,13)
InChIKeyZTDSKPMOWMNGMT-UHFFFAOYSA-N
MW247.36 g/mol
LogP1.12
Rot. Bonds6

About N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide

N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide (PubChem CID 131913293) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide
PubChem CID131913293
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide
SMILESCCC1(CNC(=O)CCS(C)(=O)=O)CCC1
InChIInChI=1S/C11H21NO3S/c1-3-11(6-4-7-11)9-12-10(13)5-8-16(2,14)15/h3-9H2,1-2H3,(H,12,13)
InChIKeyZTDSKPMOWMNGMT-UHFFFAOYSA-N
XLogP1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide (CID 131913293) is N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide is CCC1(CNC(=O)CCS(C)(=O)=O)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide?
The InChIKey is ZTDSKPMOWMNGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-3-11(6-4-7-11)9-12-10(13)5-8-16(2,14)15/h3-9H2,1-2H3,(H,12,13).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide?
N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide has a molecular weight of 247.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 131913293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).