N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide

C11H20N2O6S — CID 54170448

IUPACN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide
SMILESOC[C@H]1O[C@@H](NC(=S)N2CCOCC2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20N2O6S/c14-5-6-7(15)8(16)9(17)10(19-6)12-11(20)13-1-3-18-4-2-13/h6-10,14-17H,1-5H2,(H,12,20)/t6-,7-,8+,9-,10-/m1/s1
InChIKeyOUQQJPMDLDHSEA-HOTMZDKISA-N
MW308.36 g/mol
LogP-3.01
Rot. Bonds2

About N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide

N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide (PubChem CID 54170448) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide
PubChem CID54170448
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC NameN-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide
SMILESOC[C@H]1O[C@@H](NC(=S)N2CCOCC2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20N2O6S/c14-5-6-7(15)8(16)9(17)10(19-6)12-11(20)13-1-3-18-4-2-13/h6-10,14-17H,1-5H2,(H,12,20)/t6-,7-,8+,9-,10-/m1/s1
InChIKeyOUQQJPMDLDHSEA-HOTMZDKISA-N
XLogP-3.01
TPSA114.65 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-3.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazine-1-carbothioamide
CID 54410292
7-N,16-N-bis[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
CID 101484999
[(3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea
CID 3035110
2-(hydroxymethyl)-6-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethylamino]oxane-3,4,5-triol
CID 85428971
[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea;hydrobromide
CID 176657613
1,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
CID 5239774
O-cyclohexyl N-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioate
CID 667833
O-cyclohexyl N-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioate
CID 1244541
[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-(morpholine-4-carbothioylamino)oxan-2-yl]methyl acetate
CID 124924107
[(2S,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(morpholine-4-carbothioylamino)oxan-2-yl]methyl acetate
CID 124924108
2-bromo-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 6453781
2-bromo-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 11174069

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide?
The IUPAC name of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide (CID 54170448) is N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide.
What is the SMILES notation for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide?
The canonical SMILES for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide is OC[C@H]1O[C@@H](NC(=S)N2CCOCC2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide?
The InChIKey is OUQQJPMDLDHSEA-HOTMZDKISA-N. The full InChI is InChI=1S/C11H20N2O6S/c14-5-6-7(15)8(16)9(17)10(19-6)12-11(20)13-1-3-18-4-2-13/h6-10,14-17H,1-5H2,(H,12,20)/t6-,7-,8+,9-,10-/m1/s1.
What are the key properties of N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide?
N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide has a molecular weight of 308.36 g/mol, XLogP of -3.01, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]morpholine-4-carbothioamide is sourced from PubChem (CID 54170448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).