N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide

C7H16F2N2O2S — CID 106154252

IUPACN-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-6(5-10)3-2-4-11-14(12,13)7(8)9/h6-7,11H,2-5,10H2,1H3
InChIKeyXCMHFHIYAVQDAS-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.50
Rot. Bonds7

About N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide

N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide (PubChem CID 106154252) has the molecular formula C7H16F2N2O2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
PubChem CID106154252
Molecular FormulaC7H16F2N2O2S
Molecular Weight230.28 g/mol
Exact Mass230.09
IUPAC NameN-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
SMILESCC(CN)CCCNS(=O)(=O)C(F)F
InChIInChI=1S/C7H16F2N2O2S/c1-6(5-10)3-2-4-11-14(12,13)7(8)9/h6-7,11H,2-5,10H2,1H3
InChIKeyXCMHFHIYAVQDAS-UHFFFAOYSA-N
XLogP0.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
1,1-difluoro-N-pentylmethanesulfonamide
CID 88766737
1,1,1-Trifluoro-N-isopentylmethanesulfonamide
CID 118301710
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
1,1,1-trifluoro-N-[5-methyl-6-(trifluoromethylsulfonylamino)hexyl]methanesulfonamide
CID 167003100
N-[(1-cyano-3,3-difluoro-4-methylborolan-2-yl)methyl]methanesulfonamide
CID 173816216
N-(2-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 43606286
N-(2-amino-4-methylpentyl)-1,1,1-trifluoromethanesulfonamide
CID 43606426
N-(1-amino-4-methylpentan-2-yl)-1,1-difluoromethanesulfonamide
CID 63767726
N-(1-amino-4-methylpentan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 63889721
N-(5-aminopentyl)-1,1-difluoromethanesulfonamide
CID 64421021
N-(4-amino-2-methylbutyl)-1,1-difluoromethanesulfonamide
CID 66089301

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide (CID 106154252) is N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide is CC(CN)CCCNS(=O)(=O)C(F)F.
What is the InChIKey of N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is XCMHFHIYAVQDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2S/c1-6(5-10)3-2-4-11-14(12,13)7(8)9/h6-7,11H,2-5,10H2,1H3.
What are the key properties of N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide?
N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide has a molecular weight of 230.28 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106154252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).