1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide

C8H15F2NO2S — CID 165463225

IUPAC1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)C[C@@H]1C[C@@H]1C(F)F
InChIInChI=1S/C8H15F2NO2S/c1-5(2)11-14(12,13)4-6-3-7(6)8(9)10/h5-8,11H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyUEFQJFUQWBEUGP-BQBZGAKWSA-N
MW227.28 g/mol
LogP1.22
Rot. Bonds5

About 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide

1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 165463225) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide
PubChem CID165463225
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)C[C@@H]1C[C@@H]1C(F)F
InChIInChI=1S/C8H15F2NO2S/c1-5(2)11-14(12,13)4-6-3-7(6)8(9)10/h5-8,11H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyUEFQJFUQWBEUGP-BQBZGAKWSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide (CID 165463225) is 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)C[C@@H]1C[C@@H]1C(F)F.
What is the InChIKey of 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is UEFQJFUQWBEUGP-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-5(2)11-14(12,13)4-6-3-7(6)8(9)10/h5-8,11H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide?
1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(difluoromethyl)cyclopropyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 165463225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).