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

C9H18FNOS — CID 124673655

IUPAC(S)-N-[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/t13-/m0/s1
InChIKeyHSECXHVKPNHOLO-ZDUSSCGKSA-N
MW207.31 g/mol
LogP1.93
Rot. Bonds3

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

(S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide (PubChem CID 124673655) has the molecular formula C9H18FNOS and a molecular weight of 207.31 g/mol. Its IUPAC name is (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide
PubChem CID124673655
Molecular FormulaC9H18FNOS
Molecular Weight207.31 g/mol
Exact Mass207.11
IUPAC Name(S)-N-[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/t13-/m0/s1
InChIKeyHSECXHVKPNHOLO-ZDUSSCGKSA-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 (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide (CID 124673655) is (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)NC1(CF)CCC1.
What is the InChIKey of (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HSECXHVKPNHOLO-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
(S)-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 (S)-N-[1-(fluoromethyl)cyclobutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 124673655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).