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

C8H18F2N2O2S — CID 102869586

IUPACN-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-6(7(9)10)11-5-8(2,3)12-15(4,13)14/h6-7,11-12H,5H2,1-4H3
InChIKeyOMQOWANQSHMWIH-UHFFFAOYSA-N
MW244.31 g/mol
LogP0.56
Rot. Bonds6

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

N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 102869586) has the molecular formula C8H18F2N2O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID102869586
Molecular FormulaC8H18F2N2O2S
Molecular Weight244.31 g/mol
Exact Mass244.11
IUPAC NameN-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(F)F
InChIInChI=1S/C8H18F2N2O2S/c1-6(7(9)10)11-5-8(2,3)12-15(4,13)14/h6-7,11-12H,5H2,1-4H3
InChIKeyOMQOWANQSHMWIH-UHFFFAOYSA-N
XLogP0.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 102869586) is N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide is CC(NCC(C)(C)NS(C)(=O)=O)C(F)F.
What is the InChIKey of N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is OMQOWANQSHMWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O2S/c1-6(7(9)10)11-5-8(2,3)12-15(4,13)14/h6-7,11-12H,5H2,1-4H3.
What are the key properties of N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 244.31 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-difluoropropan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 102869586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).