(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide

C10H14N2O4S — CID 129366065

IUPAC(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C10H14N2O4S/c11-17(14,15)9-2-1-4-12(6-9)10(13)8-3-5-16-7-8/h3,5,7,9H,1-2,4,6H2,(H2,11,14,15)/t9-/m0/s1
InChIKeySANIIQZGWUXRJE-VIFPVBQESA-N
MW258.30 g/mol
LogP0.17
Rot. Bonds2

About (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide

(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide (PubChem CID 129366065) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
PubChem CID129366065
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C10H14N2O4S/c11-17(14,15)9-2-1-4-12(6-9)10(13)8-3-5-16-7-8/h3,5,7,9H,1-2,4,6H2,(H2,11,14,15)/t9-/m0/s1
InChIKeySANIIQZGWUXRJE-VIFPVBQESA-N
XLogP0.17
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide (CID 129366065) is (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide is NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide?
The InChIKey is SANIIQZGWUXRJE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O4S/c11-17(14,15)9-2-1-4-12(6-9)10(13)8-3-5-16-7-8/h3,5,7,9H,1-2,4,6H2,(H2,11,14,15)/t9-/m0/s1.
What are the key properties of (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide?
(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide has a molecular weight of 258.30 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide is sourced from PubChem (CID 129366065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).