10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide

C14H17NO2S — CID 134310392

IUPAC10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide
SMILESCC(C)c1c2n(c3ccccc13)CCS(=O)(=O)C2
InChIInChI=1S/C14H17NO2S/c1-10(2)14-11-5-3-4-6-12(11)15-7-8-18(16,17)9-13(14)15/h3-6,10H,7-9H2,1-2H3
InChIKeyPAOSGSLFBRBWKM-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.69
Rot. Bonds1

About 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide

10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide (PubChem CID 134310392) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide.

Molecular Properties

Compound Name10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide
PubChem CID134310392
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide
SMILESCC(C)c1c2n(c3ccccc13)CCS(=O)(=O)C2
InChIInChI=1S/C14H17NO2S/c1-10(2)14-11-5-3-4-6-12(11)15-7-8-18(16,17)9-13(14)15/h3-6,10H,7-9H2,1-2H3
InChIKeyPAOSGSLFBRBWKM-UHFFFAOYSA-N
XLogP2.69
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide?
The IUPAC name of 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide (CID 134310392) is 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide.
What is the SMILES notation for 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide?
The canonical SMILES for 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide is CC(C)c1c2n(c3ccccc13)CCS(=O)(=O)C2.
What is the InChIKey of 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide?
The InChIKey is PAOSGSLFBRBWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10(2)14-11-5-3-4-6-12(11)15-7-8-18(16,17)9-13(14)15/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide?
10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide has a molecular weight of 263.36 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indole 2,2-dioxide is sourced from PubChem (CID 134310392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).