(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine

C9H18N2O2S — CID 7012261

IUPAC(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
SMILESN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1
InChIInChI=1S/C9H18N2O2S/c10-8-6-14(12,13)7-9(8)11-4-2-1-3-5-11/h8-9H,1-7,10H2/t8-,9+/m1/s1
InChIKeySQQYBNRHVHLZQP-BDAKNGLRSA-N
MW218.32 g/mol
LogP-0.40
Rot. Bonds1

About (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine

(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine (PubChem CID 7012261) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine.

Molecular Properties

Compound Name(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
PubChem CID7012261
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
SMILESN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1
InChIInChI=1S/C9H18N2O2S/c10-8-6-14(12,13)7-9(8)11-4-2-1-3-5-11/h8-9H,1-7,10H2/t8-,9+/m1/s1
InChIKeySQQYBNRHVHLZQP-BDAKNGLRSA-N
XLogP-0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine?
The IUPAC name of (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine (CID 7012261) is (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine.
What is the SMILES notation for (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine?
The canonical SMILES for (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine is N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1.
What is the InChIKey of (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine?
The InChIKey is SQQYBNRHVHLZQP-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-8-6-14(12,13)7-9(8)11-4-2-1-3-5-11/h8-9H,1-7,10H2/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine?
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine has a molecular weight of 218.32 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine is sourced from PubChem (CID 7012261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).