1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide

C14H18N4O2S2 — CID 146138470

IUPAC1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)c1nsc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1
InChIInChI=1S/C14H18N4O2S2/c1-9(2)14-16-13(21-17-14)8-18-6-5-10-7-11(22(15,19)20)3-4-12(10)18/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,19,20)
InChIKeyHOIPDWGDLJSZHQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.87
Rot. Bonds4

About 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide

1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 146138470) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID146138470
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)c1nsc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1
InChIInChI=1S/C14H18N4O2S2/c1-9(2)14-16-13(21-17-14)8-18-6-5-10-7-11(22(15,19)20)3-4-12(10)18/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,19,20)
InChIKeyHOIPDWGDLJSZHQ-UHFFFAOYSA-N
XLogP1.87
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 146138470) is 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is CC(C)c1nsc(CN2CCc3cc(S(N)(=O)=O)ccc32)n1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HOIPDWGDLJSZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-9(2)14-16-13(21-17-14)8-18-6-5-10-7-11(22(15,19)20)3-4-12(10)18/h3-4,7,9H,5-6,8H2,1-2H3,(H2,15,19,20).
What are the key properties of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 338.46 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 146138470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).