N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide

C7H16N2O2S — CID 121360841

IUPACN-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide
SMILESCNC1CC(CNS(C)(=O)=O)C1
InChIInChI=1S/C7H16N2O2S/c1-8-7-3-6(4-7)5-9-12(2,10)11/h6-9H,3-5H2,1-2H3
InChIKeyTUYPTTBXXVRYDH-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.47
Rot. Bonds4

About N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide

N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide (PubChem CID 121360841) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide
PubChem CID121360841
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide
SMILESCNC1CC(CNS(C)(=O)=O)C1
InChIInChI=1S/C7H16N2O2S/c1-8-7-3-6(4-7)5-9-12(2,10)11/h6-9H,3-5H2,1-2H3
InChIKeyTUYPTTBXXVRYDH-UHFFFAOYSA-N
XLogP-0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide (CID 121360841) is N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide is CNC1CC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide?
The InChIKey is TUYPTTBXXVRYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-8-7-3-6(4-7)5-9-12(2,10)11/h6-9H,3-5H2,1-2H3.
What are the key properties of N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide?
N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylamino)cyclobutyl]methyl]methanesulfonamide is sourced from PubChem (CID 121360841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).