(7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide

C10H20N2O4S — CID 59736633

IUPAC(7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide
SMILESC[C@@H]1O[C@@H](C)CC2C1OS(=O)(=O)N(C)CN2C
InChIInChI=1S/C10H20N2O4S/c1-7-5-9-10(8(2)15-7)16-17(13,14)12(4)6-11(9)3/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10?/m0/s1
InChIKeyVBBWJSJQTQRVQD-DKEVHCRPSA-N
MW264.35 g/mol
LogP0.02
Rot. Bonds

About (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide

(7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide (PubChem CID 59736633) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide.

Molecular Properties

Compound Name(7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide
PubChem CID59736633
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide
SMILESC[C@@H]1O[C@@H](C)CC2C1OS(=O)(=O)N(C)CN2C
InChIInChI=1S/C10H20N2O4S/c1-7-5-9-10(8(2)15-7)16-17(13,14)12(4)6-11(9)3/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10?/m0/s1
InChIKeyVBBWJSJQTQRVQD-DKEVHCRPSA-N
XLogP0.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide?
The IUPAC name of (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide (CID 59736633) is (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide.
What is the SMILES notation for (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide?
The canonical SMILES for (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide is C[C@@H]1O[C@@H](C)CC2C1OS(=O)(=O)N(C)CN2C.
What is the InChIKey of (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide?
The InChIKey is VBBWJSJQTQRVQD-DKEVHCRPSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-7-5-9-10(8(2)15-7)16-17(13,14)12(4)6-11(9)3/h7-10H,5-6H2,1-4H3/t7-,8-,9?,10?/m0/s1.
What are the key properties of (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide?
(7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide has a molecular weight of 264.35 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9S)-3,5,7,9-tetramethyl-4,5a,6,7,9,9a-hexahydropyrano[4,3-f][1,2,3,5]oxathiadiazepine 2,2-dioxide is sourced from PubChem (CID 59736633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).