N-[(1-ethylcyclobutyl)methyl]methanesulfonamide

C8H17NO2S — CID 103741032

IUPACN-[(1-ethylcyclobutyl)methyl]methanesulfonamide
SMILESCCC1(CNS(C)(=O)=O)CCC1
InChIInChI=1S/C8H17NO2S/c1-3-8(5-4-6-8)7-9-12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyWPCVOHVUCQUXAG-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.12
Rot. Bonds4

About N-[(1-ethylcyclobutyl)methyl]methanesulfonamide

N-[(1-ethylcyclobutyl)methyl]methanesulfonamide (PubChem CID 103741032) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]methanesulfonamide
PubChem CID103741032
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-[(1-ethylcyclobutyl)methyl]methanesulfonamide
SMILESCCC1(CNS(C)(=O)=O)CCC1
InChIInChI=1S/C8H17NO2S/c1-3-8(5-4-6-8)7-9-12(2,10)11/h9H,3-7H2,1-2H3
InChIKeyWPCVOHVUCQUXAG-UHFFFAOYSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]methanesulfonamide (CID 103741032) is N-[(1-ethylcyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]methanesulfonamide is CCC1(CNS(C)(=O)=O)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]methanesulfonamide?
The InChIKey is WPCVOHVUCQUXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-8(5-4-6-8)7-9-12(2,10)11/h9H,3-7H2,1-2H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]methanesulfonamide?
N-[(1-ethylcyclobutyl)methyl]methanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 103741032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).