N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide

C9H18FNO2S — CID 130208656

IUPACN-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide
SMILESCC1(F)CC(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C9H18FNO2S/c1-8(2,3)11-14(12,13)7-5-9(4,10)6-7/h7,11H,5-6H2,1-4H3
InChIKeyXFZPDSRSMCQAIB-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.59
Rot. Bonds2

About N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide

N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide (PubChem CID 130208656) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide
PubChem CID130208656
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC NameN-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide
SMILESCC1(F)CC(S(=O)(=O)NC(C)(C)C)C1
InChIInChI=1S/C9H18FNO2S/c1-8(2,3)11-14(12,13)7-5-9(4,10)6-7/h7,11H,5-6H2,1-4H3
InChIKeyXFZPDSRSMCQAIB-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide?
The IUPAC name of N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide (CID 130208656) is N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide?
The canonical SMILES for N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide is CC1(F)CC(S(=O)(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide?
The InChIKey is XFZPDSRSMCQAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8(2,3)11-14(12,13)7-5-9(4,10)6-7/h7,11H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide?
N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide has a molecular weight of 223.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-3-methylcyclobutane-1-sulfonamide is sourced from PubChem (CID 130208656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).