[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid

C10H17N3O5S — CID 137123499

IUPAC[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid
SMILESC/N=C1/N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CN(C)C(=O)O)O[C@@H]2S1
InChIInChI=1S/C10H17N3O5S/c1-11-9-12-5-7(15)6(14)4(18-8(5)19-9)3-13(2)10(16)17/h4-8,14-15H,3H2,1-2H3,(H,11,12)(H,16,17)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyMVWRAIOFFBTKGZ-FMDGEEDCSA-N
MW291.33 g/mol
LogP-1.27
Rot. Bonds2

About [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid

[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid (PubChem CID 137123499) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid
PubChem CID137123499
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid
SMILESC/N=C1/N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CN(C)C(=O)O)O[C@@H]2S1
InChIInChI=1S/C10H17N3O5S/c1-11-9-12-5-7(15)6(14)4(18-8(5)19-9)3-13(2)10(16)17/h4-8,14-15H,3H2,1-2H3,(H,11,12)(H,16,17)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyMVWRAIOFFBTKGZ-FMDGEEDCSA-N
XLogP-1.27
TPSA114.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid?
The IUPAC name of [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid (CID 137123499) is [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid.
What is the SMILES notation for [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid?
The canonical SMILES for [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid is C/N=C1/N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CN(C)C(=O)O)O[C@@H]2S1.
What is the InChIKey of [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid?
The InChIKey is MVWRAIOFFBTKGZ-FMDGEEDCSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-11-9-12-5-7(15)6(14)4(18-8(5)19-9)3-13(2)10(16)17/h4-8,14-15H,3H2,1-2H3,(H,11,12)(H,16,17)/t4-,5-,6-,7-,8-/m1/s1.
What are the key properties of [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid?
[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid has a molecular weight of 291.33 g/mol, XLogP of -1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid is sourced from PubChem (CID 137123499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).