(3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid

C7H13FN2O4S — CID 174234337

IUPAC(3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid
SMILESCS(=O)(=O)N1CCC(NC(=O)O)C(F)C1
InChIInChI=1S/C7H13FN2O4S/c1-15(13,14)10-3-2-6(5(8)4-10)9-7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12)
InChIKeyPFLVFTALMJMIJL-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.37
Rot. Bonds2

About (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid

(3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid (PubChem CID 174234337) has the molecular formula C7H13FN2O4S and a molecular weight of 240.26 g/mol. Its IUPAC name is (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid
PubChem CID174234337
Molecular FormulaC7H13FN2O4S
Molecular Weight240.26 g/mol
Exact Mass240.06
IUPAC Name(3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid
SMILESCS(=O)(=O)N1CCC(NC(=O)O)C(F)C1
InChIInChI=1S/C7H13FN2O4S/c1-15(13,14)10-3-2-6(5(8)4-10)9-7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12)
InChIKeyPFLVFTALMJMIJL-UHFFFAOYSA-N
XLogP-0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid?
The IUPAC name of (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid (CID 174234337) is (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid is CS(=O)(=O)N1CCC(NC(=O)O)C(F)C1.
What is the InChIKey of (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid?
The InChIKey is PFLVFTALMJMIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O4S/c1-15(13,14)10-3-2-6(5(8)4-10)9-7(11)12/h5-6,9H,2-4H2,1H3,(H,11,12).
What are the key properties of (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid?
(3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid has a molecular weight of 240.26 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 174234337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).