1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide

C9H18F4N2O2S — CID 106295870

IUPAC1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C9H18F4N2O2S/c1-6(2)14-4-7(3)18(16,17)15-5-9(12,13)8(10)11/h6-8,14-15H,4-5H2,1-3H3
InChIKeyNJZSFTQQODPXOY-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.19
Rot. Bonds8

About 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide

1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide (PubChem CID 106295870) has the molecular formula C9H18F4N2O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
PubChem CID106295870
Molecular FormulaC9H18F4N2O2S
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
SMILESCC(C)NCC(C)S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C9H18F4N2O2S/c1-6(2)14-4-7(3)18(16,17)15-5-9(12,13)8(10)11/h6-8,14-15H,4-5H2,1-3H3
InChIKeyNJZSFTQQODPXOY-UHFFFAOYSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958
N-(3-methylbutyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059116
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106064773
5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106295869
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106019710
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
N-(5-methylsulfanylpentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142684
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106087102
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
3,3,3-trifluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 87066747

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide?
The IUPAC name of 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide (CID 106295870) is 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide?
The canonical SMILES for 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide is CC(C)NCC(C)S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide?
The InChIKey is NJZSFTQQODPXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F4N2O2S/c1-6(2)14-4-7(3)18(16,17)15-5-9(12,13)8(10)11/h6-8,14-15H,4-5H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide?
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide has a molecular weight of 294.31 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide is sourced from PubChem (CID 106295870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).