1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide

C11H19F2NO3S — CID 146149491

IUPAC1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(C[C@@H]1C[C@H]1C(F)F)NCC1CCOCC1
InChIInChI=1S/C11H19F2NO3S/c12-11(13)10-5-9(10)7-18(15,16)14-6-8-1-3-17-4-2-8/h8-11,14H,1-7H2/t9-,10+/m0/s1
InChIKeyQOQIEBIYXUGUFW-VHSXEESVSA-N
MW283.34 g/mol
LogP1.23
Rot. Bonds6

About 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide

1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide (PubChem CID 146149491) has the molecular formula C11H19F2NO3S and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide
PubChem CID146149491
Molecular FormulaC11H19F2NO3S
Molecular Weight283.34 g/mol
Exact Mass283.11
IUPAC Name1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide
SMILESO=S(=O)(C[C@@H]1C[C@H]1C(F)F)NCC1CCOCC1
InChIInChI=1S/C11H19F2NO3S/c12-11(13)10-5-9(10)7-18(15,16)14-6-8-1-3-17-4-2-8/h8-11,14H,1-7H2/t9-,10+/m0/s1
InChIKeyQOQIEBIYXUGUFW-VHSXEESVSA-N
XLogP1.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide (CID 146149491) is 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide is O=S(=O)(C[C@@H]1C[C@H]1C(F)F)NCC1CCOCC1.
What is the InChIKey of 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide?
The InChIKey is QOQIEBIYXUGUFW-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19F2NO3S/c12-11(13)10-5-9(10)7-18(15,16)14-6-8-1-3-17-4-2-8/h8-11,14H,1-7H2/t9-,10+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide?
1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide has a molecular weight of 283.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(oxan-4-ylmethyl)methanesulfonamide is sourced from PubChem (CID 146149491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).