N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide

C7H16F2N2O2S — CID 63858455

IUPACN-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC(F)F)NS(C)(=O)=O
InChIInChI=1S/C7H16F2N2O2S/c1-7(2,11-14(3,12)13)5-10-4-6(8)9/h6,10-11H,4-5H2,1-3H3
InChIKeySQSAVDQGHBJDMN-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.17
Rot. Bonds6

About N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63858455) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63858455
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC(F)F)NS(C)(=O)=O
InChIInChI=1S/C7H16F2N2O2S/c1-7(2,11-14(3,12)13)5-10-4-6(8)9/h6,10-11H,4-5H2,1-3H3
InChIKeySQSAVDQGHBJDMN-UHFFFAOYSA-N
XLogP0.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 63858455) is N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCC(F)F)NS(C)(=O)=O.
What is the InChIKey of N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is SQSAVDQGHBJDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-7(2,11-14(3,12)13)5-10-4-6(8)9/h6,10-11H,4-5H2,1-3H3.
What are the key properties of N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63858455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).