N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide

C9H18FNO2S — CID 155136383

IUPACN-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1(CF)CC1
InChIInChI=1S/C9H18FNO2S/c1-8(2,3)14(12,13)11-7-9(6-10)4-5-9/h11H,4-7H2,1-3H3
InChIKeyYJMWVAGYIUDHEF-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.45
Rot. Bonds4

About N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide

N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide (PubChem CID 155136383) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
PubChem CID155136383
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC NameN-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1(CF)CC1
InChIInChI=1S/C9H18FNO2S/c1-8(2,3)14(12,13)11-7-9(6-10)4-5-9/h11H,4-7H2,1-3H3
InChIKeyYJMWVAGYIUDHEF-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide (CID 155136383) is N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1(CF)CC1.
What is the InChIKey of N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is YJMWVAGYIUDHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8(2,3)14(12,13)11-7-9(6-10)4-5-9/h11H,4-7H2,1-3H3.
What are the key properties of N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide?
N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 223.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(fluoromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 155136383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).