N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide

C5H12F2N2O2S — CID 61122982

IUPACN-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCCC(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-2-4(3-8)9-12(10,11)5(6)7/h4-5,9H,2-3,8H2,1H3
InChIKeyFUEPGHBLMSVRFG-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.13
Rot. Bonds5

About N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide

N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 61122982) has the molecular formula C5H12F2N2O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID61122982
Molecular FormulaC5H12F2N2O2S
Molecular Weight202.23 g/mol
Exact Mass202.06
IUPAC NameN-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCCC(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O2S/c1-2-4(3-8)9-12(10,11)5(6)7/h4-5,9H,2-3,8H2,1H3
InChIKeyFUEPGHBLMSVRFG-UHFFFAOYSA-N
XLogP-0.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
CID 166446328
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
2,2-difluoro-N-propan-2-ylpropane-1-sulfonamide
CID 58525236
2,2,2-trifluoro-N-propan-2-ylethanesulfonamide
CID 59302447
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide (CID 61122982) is N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide is CCC(CN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is FUEPGHBLMSVRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O2S/c1-2-4(3-8)9-12(10,11)5(6)7/h4-5,9H,2-3,8H2,1H3.
What are the key properties of N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide?
N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 202.23 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61122982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).