(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide

C15H18N2O3S — CID 134949218

IUPAC(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1[C@]3(C)CCS1(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-15-6-8-21(18,19)17(15)7-5-11-12-9-10(20-2)3-4-13(12)16-14(11)15/h3-4,9,16H,5-8H2,1-2H3/t15-/m1/s1
InChIKeyFNBWKARSMDVHAG-OAHLLOKOSA-N
MW306.39 g/mol
LogP1.98
Rot. Bonds1

About (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide

(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide (PubChem CID 134949218) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide.

Molecular Properties

Compound Name(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide
PubChem CID134949218
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide
SMILESCOc1ccc2[nH]c3c(c2c1)CCN1[C@]3(C)CCS1(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-15-6-8-21(18,19)17(15)7-5-11-12-9-10(20-2)3-4-13(12)16-14(11)15/h3-4,9,16H,5-8H2,1-2H3/t15-/m1/s1
InChIKeyFNBWKARSMDVHAG-OAHLLOKOSA-N
XLogP1.98
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide?
The IUPAC name of (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide (CID 134949218) is (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide.
What is the SMILES notation for (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide?
The canonical SMILES for (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide is COc1ccc2[nH]c3c(c2c1)CCN1[C@]3(C)CCS1(=O)=O.
What is the InChIKey of (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide?
The InChIKey is FNBWKARSMDVHAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15-6-8-21(18,19)17(15)7-5-11-12-9-10(20-2)3-4-13(12)16-14(11)15/h3-4,9,16H,5-8H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide?
(2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide has a molecular weight of 306.39 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-12-methoxy-2-methyl-5λ6-thia-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraene 5,5-dioxide is sourced from PubChem (CID 134949218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).