(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide

C12H22N2O4S — CID 661770

IUPAC(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)C[C@@H](N2CCOCC2)[C@H](N2CCOCC2)C1
InChIInChI=1S/C12H22N2O4S/c15-19(16)9-11(13-1-5-17-6-2-13)12(10-19)14-3-7-18-8-4-14/h11-12H,1-10H2/t11-,12-/m1/s1
InChIKeyPHVGMXDFUJRPRB-VXGBXAGGSA-N
MW290.39 g/mol
LogP-1.18
Rot. Bonds2

About (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide

(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide (PubChem CID 661770) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
PubChem CID661770
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC Name(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
SMILESO=S1(=O)C[C@@H](N2CCOCC2)[C@H](N2CCOCC2)C1
InChIInChI=1S/C12H22N2O4S/c15-19(16)9-11(13-1-5-17-6-2-13)12(10-19)14-3-7-18-8-4-14/h11-12H,1-10H2/t11-,12-/m1/s1
InChIKeyPHVGMXDFUJRPRB-VXGBXAGGSA-N
XLogP-1.18
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide?
The IUPAC name of (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide (CID 661770) is (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide.
What is the SMILES notation for (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide?
The canonical SMILES for (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide is O=S1(=O)C[C@@H](N2CCOCC2)[C@H](N2CCOCC2)C1.
What is the InChIKey of (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide?
The InChIKey is PHVGMXDFUJRPRB-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-19(16)9-11(13-1-5-17-6-2-13)12(10-19)14-3-7-18-8-4-14/h11-12H,1-10H2/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide?
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide has a molecular weight of 290.39 g/mol, XLogP of -1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide is sourced from PubChem (CID 661770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).