N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide

C6H11F2NO2S2 — CID 130693305

IUPACN-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide
SMILESCC1(C)SCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO2S2/c1-6(2)4(3-12-6)9-13(10,11)5(7)8/h4-5,9H,3H2,1-2H3
InChIKeyZUWGCJYBOSENNT-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.02
Rot. Bonds3

About N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide

N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide (PubChem CID 130693305) has the molecular formula C6H11F2NO2S2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide
PubChem CID130693305
Molecular FormulaC6H11F2NO2S2
Molecular Weight231.29 g/mol
Exact Mass231.02
IUPAC NameN-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide
SMILESCC1(C)SCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C6H11F2NO2S2/c1-6(2)4(3-12-6)9-13(10,11)5(7)8/h4-5,9H,3H2,1-2H3
InChIKeyZUWGCJYBOSENNT-UHFFFAOYSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide (CID 130693305) is N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide is CC1(C)SCC1NS(=O)(=O)C(F)F.
What is the InChIKey of N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is ZUWGCJYBOSENNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S2/c1-6(2)4(3-12-6)9-13(10,11)5(7)8/h4-5,9H,3H2,1-2H3.
What are the key properties of N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide?
N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 231.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylthietan-3-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 130693305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).