(3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide

C8H16NO3S+ — CID 7072042

IUPAC(3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H]([NH+]2CCOCC2)C1
InChIInChI=1S/C8H15NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h8H,1-7H2/p+1/t8-/m0/s1
InChIKeyWPFHERFZMTXDJX-QMMMGPOBSA-O
MW206.29 g/mol
LogP-1.91
Rot. Bonds1

About (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide

(3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide (PubChem CID 7072042) has the molecular formula C8H16NO3S+ and a molecular weight of 206.29 g/mol. Its IUPAC name is (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide
PubChem CID7072042
Molecular FormulaC8H16NO3S+
Molecular Weight206.29 g/mol
Exact Mass206.08
IUPAC Name(3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)CC[C@H]([NH+]2CCOCC2)C1
InChIInChI=1S/C8H15NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h8H,1-7H2/p+1/t8-/m0/s1
InChIKeyWPFHERFZMTXDJX-QMMMGPOBSA-O
XLogP-1.91
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide?
The IUPAC name of (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide (CID 7072042) is (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide.
What is the SMILES notation for (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide?
The canonical SMILES for (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide is O=S1(=O)CC[C@H]([NH+]2CCOCC2)C1.
What is the InChIKey of (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide?
The InChIKey is WPFHERFZMTXDJX-QMMMGPOBSA-O. The full InChI is InChI=1S/C8H15NO3S/c10-13(11)6-1-8(7-13)9-2-4-12-5-3-9/h8H,1-7H2/p+1/t8-/m0/s1.
What are the key properties of (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide?
(3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide has a molecular weight of 206.29 g/mol, XLogP of -1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-morpholin-4-ium-4-ylthiolane 1,1-dioxide is sourced from PubChem (CID 7072042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).