N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide

C7H15NO3S — CID 131042502

IUPACN-(3-methoxycyclobutyl)-N-methylmethanesulfonamide
SMILESCOC1CC(N(C)S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-8(12(3,9)10)6-4-7(5-6)11-2/h6-7H,4-5H2,1-3H3
InChIKeyPLNOERZENZZFNJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.06
Rot. Bonds3

About N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide

N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide (PubChem CID 131042502) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-N-methylmethanesulfonamide
PubChem CID131042502
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-(3-methoxycyclobutyl)-N-methylmethanesulfonamide
SMILESCOC1CC(N(C)S(C)(=O)=O)C1
InChIInChI=1S/C7H15NO3S/c1-8(12(3,9)10)6-4-7(5-6)11-2/h6-7H,4-5H2,1-3H3
InChIKeyPLNOERZENZZFNJ-UHFFFAOYSA-N
XLogP0.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide (CID 131042502) is N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide is COC1CC(N(C)S(C)(=O)=O)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide?
The InChIKey is PLNOERZENZZFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-8(12(3,9)10)6-4-7(5-6)11-2/h6-7H,4-5H2,1-3H3.
What are the key properties of N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide?
N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide has a molecular weight of 193.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 131042502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).