1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide

C12H25FN4O2S — CID 123725074

IUPAC1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(C2C(N)CNCC2F)CC1
InChIInChI=1S/C12H25FN4O2S/c1-16(2)20(18,19)9-3-5-17(6-4-9)12-10(13)7-15-8-11(12)14/h9-12,15H,3-8,14H2,1-2H3
InChIKeyIKGURJVBZLCSSS-UHFFFAOYSA-N
MW308.42 g/mol
LogP-1.02
Rot. Bonds3

About 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide

1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide (PubChem CID 123725074) has the molecular formula C12H25FN4O2S and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
PubChem CID123725074
Molecular FormulaC12H25FN4O2S
Molecular Weight308.42 g/mol
Exact Mass308.17
IUPAC Name1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(C2C(N)CNCC2F)CC1
InChIInChI=1S/C12H25FN4O2S/c1-16(2)20(18,19)9-3-5-17(6-4-9)12-10(13)7-15-8-11(12)14/h9-12,15H,3-8,14H2,1-2H3
InChIKeyIKGURJVBZLCSSS-UHFFFAOYSA-N
XLogP-1.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The IUPAC name of 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide (CID 123725074) is 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The canonical SMILES for 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide is CN(C)S(=O)(=O)C1CCN(C2C(N)CNCC2F)CC1.
What is the InChIKey of 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The InChIKey is IKGURJVBZLCSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN4O2S/c1-16(2)20(18,19)9-3-5-17(6-4-9)12-10(13)7-15-8-11(12)14/h9-12,15H,3-8,14H2,1-2H3.
What are the key properties of 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide has a molecular weight of 308.42 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide is sourced from PubChem (CID 123725074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).