(3-methoxycyclobutyl)methanesulfonamide

C6H13NO3S — CID 165443561

IUPAC(3-methoxycyclobutyl)methanesulfonamide
SMILESCOC1CC(CS(N)(=O)=O)C1
InChIInChI=1S/C6H13NO3S/c1-10-6-2-5(3-6)4-11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)
InChIKeyQMHKDDKZIHYGBH-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.30
Rot. Bonds3

About (3-methoxycyclobutyl)methanesulfonamide

(3-methoxycyclobutyl)methanesulfonamide (PubChem CID 165443561) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (3-methoxycyclobutyl)methanesulfonamide.

Molecular Properties

Compound Name(3-methoxycyclobutyl)methanesulfonamide
PubChem CID165443561
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(3-methoxycyclobutyl)methanesulfonamide
SMILESCOC1CC(CS(N)(=O)=O)C1
InChIInChI=1S/C6H13NO3S/c1-10-6-2-5(3-6)4-11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)
InChIKeyQMHKDDKZIHYGBH-UHFFFAOYSA-N
XLogP-0.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclobutyl)methanesulfonamide?
The IUPAC name of (3-methoxycyclobutyl)methanesulfonamide (CID 165443561) is (3-methoxycyclobutyl)methanesulfonamide.
What is the SMILES notation for (3-methoxycyclobutyl)methanesulfonamide?
The canonical SMILES for (3-methoxycyclobutyl)methanesulfonamide is COC1CC(CS(N)(=O)=O)C1.
What is the InChIKey of (3-methoxycyclobutyl)methanesulfonamide?
The InChIKey is QMHKDDKZIHYGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-10-6-2-5(3-6)4-11(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9).
What are the key properties of (3-methoxycyclobutyl)methanesulfonamide?
(3-methoxycyclobutyl)methanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclobutyl)methanesulfonamide is sourced from PubChem (CID 165443561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).