(3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol

C13H26N2O4S — CID 56744172

IUPAC(3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CC(C)(C)N1CCOCC1)[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C13H26N2O4S/c1-13(2,15-4-6-19-7-5-15)10-14(3)11-8-20(17,18)9-12(11)16/h11-12,16H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyXQKDIFDQGTUULW-VXGBXAGGSA-N
MW306.43 g/mol
LogP-0.81
Rot. Bonds4

About (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol

(3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 56744172) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID56744172
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name(3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol
SMILESCN(CC(C)(C)N1CCOCC1)[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C13H26N2O4S/c1-13(2,15-4-6-19-7-5-15)10-14(3)11-8-20(17,18)9-12(11)16/h11-12,16H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyXQKDIFDQGTUULW-VXGBXAGGSA-N
XLogP-0.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol
CID 55175969
4-[methyl(2-methylbutan-2-yl)amino]-1,1-dioxothiolan-3-ol
CID 63964217
1-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 94175349
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
(3R,4R)-4-[methyl-[(4-methylphenyl)methyl]amino]-1,1-dioxothiolan-3-ol
CID 129365563
2-(1,1-dioxothiolan-3-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 86908004
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
(3S,4S)-4-(dibutylamino)-1,1-dioxothiolan-3-ol
CID 126846726
(3R,4R)-4-[methyl-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-1,1-dioxothiolan-3-ol
CID 164633097
(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropyl)piperidine-3,4-diol
CID 131929418
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide
CID 99976614
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
CID 102566397

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol (CID 56744172) is (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol is CN(CC(C)(C)N1CCOCC1)[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is XQKDIFDQGTUULW-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-13(2,15-4-6-19-7-5-15)10-14(3)11-8-20(17,18)9-12(11)16/h11-12,16H,4-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol?
(3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 306.43 g/mol, XLogP of -0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[methyl-(2-methyl-2-morpholin-4-ylpropyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 56744172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).