(3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide

C11H18N2O2S — CID 172908553

IUPAC(3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCSC2)C1
InChIInChI=1S/C11H18N2O2S/c12-10(14)8-2-1-4-13(6-8)11(15)9-3-5-16-7-9/h8-9H,1-7H2,(H2,12,14)/t8-,9+/m0/s1
InChIKeyFOWCZQMGYPBKOB-DTWKUNHWSA-N
MW242.34 g/mol
LogP0.46
Rot. Bonds2

About (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide

(3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide (PubChem CID 172908553) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide
PubChem CID172908553
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCSC2)C1
InChIInChI=1S/C11H18N2O2S/c12-10(14)8-2-1-4-13(6-8)11(15)9-3-5-16-7-9/h8-9H,1-7H2,(H2,12,14)/t8-,9+/m0/s1
InChIKeyFOWCZQMGYPBKOB-DTWKUNHWSA-N
XLogP0.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide (CID 172908553) is (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCSC2)C1.
What is the InChIKey of (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is FOWCZQMGYPBKOB-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-10(14)8-2-1-4-13(6-8)11(15)9-3-5-16-7-9/h8-9H,1-7H2,(H2,12,14)/t8-,9+/m0/s1.
What are the key properties of (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide?
(3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3S)-thiolane-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).