N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide

C9H18FNOS — CID 90089490

IUPACN-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(CF)CCC1
InChIInChI=1S/C9H18FNOS/c1-8(2,3)13(12)11-9(7-10)5-4-6-9/h11H,4-7H2,1-3H3
InChIKeyHSECXHVKPNHOLO-UHFFFAOYSA-N
MW207.31 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide

N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide (PubChem CID 90089490) has the molecular formula C9H18FNOS and a molecular weight of 207.31 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide
PubChem CID90089490
Molecular FormulaC9H18FNOS
Molecular Weight207.31 g/mol
Exact Mass207.11
IUPAC NameN-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(CF)CCC1
InChIInChI=1S/C9H18FNOS/c1-8(2,3)13(12)11-9(7-10)5-4-6-9/h11H,4-7H2,1-3H3
InChIKeyHSECXHVKPNHOLO-UHFFFAOYSA-N
XLogP1.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide (CID 90089490) is N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(CF)CCC1.
What is the InChIKey of N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HSECXHVKPNHOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNOS/c1-8(2,3)13(12)11-9(7-10)5-4-6-9/h11H,4-7H2,1-3H3.
What are the key properties of N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 207.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90089490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).