N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide

C10H19NO4S — CID 104520502

IUPACN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(C)CC1CC(O)C1)S(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-7(16(3,14)15)10(13)11(2)6-8-4-9(12)5-8/h7-9,12H,4-6H2,1-3H3
InChIKeyUYWJPYOGVCQOLI-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.35
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide (PubChem CID 104520502) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide
PubChem CID104520502
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(C)CC1CC(O)C1)S(C)(=O)=O
InChIInChI=1S/C10H19NO4S/c1-7(16(3,14)15)10(13)11(2)6-8-4-9(12)5-8/h7-9,12H,4-6H2,1-3H3
InChIKeyUYWJPYOGVCQOLI-UHFFFAOYSA-N
XLogP-0.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide (CID 104520502) is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide is CC(C(=O)N(C)CC1CC(O)C1)S(C)(=O)=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide?
The InChIKey is UYWJPYOGVCQOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-7(16(3,14)15)10(13)11(2)6-8-4-9(12)5-8/h7-9,12H,4-6H2,1-3H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide?
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide has a molecular weight of 249.33 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 104520502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).