4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide

C9H18F2N2O2S — CID 164933940

IUPAC4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide
SMILESCC(C)(C)C1CCN(S(=O)(=O)N(F)F)CC1
InChIInChI=1S/C9H18F2N2O2S/c1-9(2,3)8-4-6-12(7-5-8)16(14,15)13(10)11/h8H,4-7H2,1-3H3
InChIKeyFBNFKGHROSZWKT-UHFFFAOYSA-N
MW256.32 g/mol
LogP2.06
Rot. Bonds2

About 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide

4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide (PubChem CID 164933940) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide
PubChem CID164933940
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC Name4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide
SMILESCC(C)(C)C1CCN(S(=O)(=O)N(F)F)CC1
InChIInChI=1S/C9H18F2N2O2S/c1-9(2,3)8-4-6-12(7-5-8)16(14,15)13(10)11/h8H,4-7H2,1-3H3
InChIKeyFBNFKGHROSZWKT-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
3-Fluoro-4-propan-2-ylpiperidine-1-sulfonamide
CID 129064421
4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
CID 75438706
(7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide
CID 162544180
4-Propan-2-ylpiperidine-1-sulfonamide
CID 20782491
N,N-dimethyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 57742698
4-Methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 59291693
4-Tert-butylpiperidine-1-sulfonamide
CID 62091441
(3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide
CID 67965082
N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide
CID 67965092
N,N,3,4-tetramethylpiperidine-1-sulfonamide
CID 67966140
4-tert-butyl-N,N-dimethylpiperidine-1-sulfonamide
CID 127327712

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide?
The IUPAC name of 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide (CID 164933940) is 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide.
What is the SMILES notation for 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide?
The canonical SMILES for 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide is CC(C)(C)C1CCN(S(=O)(=O)N(F)F)CC1.
What is the InChIKey of 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide?
The InChIKey is FBNFKGHROSZWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-9(2,3)8-4-6-12(7-5-8)16(14,15)13(10)11/h8H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide?
4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide has a molecular weight of 256.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide is sourced from PubChem (CID 164933940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).