(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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Related Compounds

(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
N-[(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]propanamide
CID 99975528
tert-butyl N-[(3S,4S)-4-morpholin-4-yl-1,1-dioxothiolan-3-yl]carbamate
CID 97071959
3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
CID 56692775
(3S,4R)-3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
CID 6552146
(3R)-3-morpholin-4-ylthiolane 1,1-dioxide
CID 7072045
(3S,4S)-4-(aziridin-1-yl)-1,1-dioxothiolan-3-ol
CID 6357828
(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
CID 20897972
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
2-morpholin-4-ylcyclopropane-1-carboxylic acid
CID 117029758
trans-(1R,2R)-2-morpholin-4-ylcyclobutan-1-amine
CID 130926079
4-cyclopropylmorpholine;ethane
CID 155594914

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).