3-cyclohexyl-N-methylsulfonylpropanamide

C10H19NO3S — CID 47232790

IUPAC3-cyclohexyl-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCC1CCCCC1
InChIInChI=1S/C10H19NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyNVMPZQMJIBKGJR-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.42
Rot. Bonds4

About 3-cyclohexyl-N-methylsulfonylpropanamide

3-cyclohexyl-N-methylsulfonylpropanamide (PubChem CID 47232790) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-cyclohexyl-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-methylsulfonylpropanamide
PubChem CID47232790
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name3-cyclohexyl-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCC1CCCCC1
InChIInChI=1S/C10H19NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,11,12)
InChIKeyNVMPZQMJIBKGJR-UHFFFAOYSA-N
XLogP1.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-methylsulfonylpropanamide?
The IUPAC name of 3-cyclohexyl-N-methylsulfonylpropanamide (CID 47232790) is 3-cyclohexyl-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-cyclohexyl-N-methylsulfonylpropanamide?
The canonical SMILES for 3-cyclohexyl-N-methylsulfonylpropanamide is CS(=O)(=O)NC(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-methylsulfonylpropanamide?
The InChIKey is NVMPZQMJIBKGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-15(13,14)11-10(12)8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 3-cyclohexyl-N-methylsulfonylpropanamide?
3-cyclohexyl-N-methylsulfonylpropanamide has a molecular weight of 233.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-methylsulfonylpropanamide is sourced from PubChem (CID 47232790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).