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

C6H14F2N2O2S — CID 61133408

IUPACN-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCCCC(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-2-3-5(4-9)10-13(11,12)6(7)8/h5-6,10H,2-4,9H2,1H3
InChIKeyPDTFMGKMXVUFAF-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.26
Rot. Bonds6

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

N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide (PubChem CID 61133408) has the molecular formula C6H14F2N2O2S and a molecular weight of 216.25 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
PubChem CID61133408
Molecular FormulaC6H14F2N2O2S
Molecular Weight216.25 g/mol
Exact Mass216.07
IUPAC NameN-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
SMILESCCCC(CN)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H14F2N2O2S/c1-2-3-5(4-9)10-13(11,12)6(7)8/h5-6,10H,2-4,9H2,1H3
InChIKeyPDTFMGKMXVUFAF-UHFFFAOYSA-N
XLogP0.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1S,2S)-2-aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 9817239
1,1,1-trifluoro-N-hexylmethanesulfonamide
CID 58427693
N-((1R,2R)-2-Aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 69344011
N-(4,4-difluorocyclohexyl)methanesulfonamide
CID 57747898
N-[(1R,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 92974044
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
1,1,1-trifluoro-N-hexan-3-ylmethanesulfonamide
CID 166446328
N-(2-aminocyclohexyl)-1,1,1-trifluoromethanesulfonamide
CID 9796336
N-Cyclopentyltrifluoromethanesulfonamide
CID 14076853
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
1,1,1-trifluoro-N-pentylmethanesulfonamide
CID 58427682

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide (CID 61133408) is N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide is CCCC(CN)NS(=O)(=O)C(F)F.
What is the InChIKey of N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide?
The InChIKey is PDTFMGKMXVUFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N2O2S/c1-2-3-5(4-9)10-13(11,12)6(7)8/h5-6,10H,2-4,9H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide?
N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide has a molecular weight of 216.25 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61133408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).