N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide

C8H16F2N2O3S — CID 114383925

IUPACN-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H16F2N2O3S/c9-8(10,5-11)6-12-16(13,14)4-7-2-1-3-15-7/h7,12H,1-6,11H2
InChIKeyMEXCFQJWNSPTNE-UHFFFAOYSA-N
MW258.29 g/mol
LogP-0.32
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide

N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 114383925) has the molecular formula C8H16F2N2O3S and a molecular weight of 258.29 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID114383925
Molecular FormulaC8H16F2N2O3S
Molecular Weight258.29 g/mol
Exact Mass258.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H16F2N2O3S/c9-8(10,5-11)6-12-16(13,14)4-7-2-1-3-15-7/h7,12H,1-6,11H2
InChIKeyMEXCFQJWNSPTNE-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide (CID 114383925) is N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide is NCC(F)(F)CNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is MEXCFQJWNSPTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O3S/c9-8(10,5-11)6-12-16(13,14)4-7-2-1-3-15-7/h7,12H,1-6,11H2.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 258.29 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 114383925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).