(2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate

C12H16NO3S- — CID 2307444

IUPAC(2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate
SMILESC[C@H]1N(C)c2ccc(S(=O)(=O)[O-])cc2C1(C)C
InChIInChI=1S/C12H17NO3S/c1-8-12(2,3)10-7-9(17(14,15)16)5-6-11(10)13(8)4/h5-8H,1-4H3,(H,14,15,16)/p-1/t8-/m1/s1
InChIKeyBLVOOYINOLCUHY-MRVPVSSYSA-M
MW254.33 g/mol
LogP1.71
Rot. Bonds1

About (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate

(2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate (PubChem CID 2307444) has the molecular formula C12H16NO3S- and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate.

Molecular Properties

Compound Name(2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate
PubChem CID2307444
Molecular FormulaC12H16NO3S-
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name(2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate
SMILESC[C@H]1N(C)c2ccc(S(=O)(=O)[O-])cc2C1(C)C
InChIInChI=1S/C12H17NO3S/c1-8-12(2,3)10-7-9(17(14,15)16)5-6-11(10)13(8)4/h5-8H,1-4H3,(H,14,15,16)/p-1/t8-/m1/s1
InChIKeyBLVOOYINOLCUHY-MRVPVSSYSA-M
XLogP1.71
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sulfuric acid;1,2,3,3-tetramethyl-2H-indole
CID 69432557
5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-2H-indole;hydroiodide
CID 173351588
2,2-dimethyl-N-(1,2,3,3-tetramethyl-2H-indol-6-yl)propanamide
CID 169309038
2,3,3-trimethylindol-1-ium-5-sulfonate
CID 58594405
1-[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]-N-[4-[1-[4-[[(2R)-1,2,3,3-tetramethyl-2H-indol-5-yl]methylideneamino]phenyl]cyclohexyl]phenyl]methanimine
CID 98393962
sodium 1,1,3,3-tetrachloro-2-benzothiophene-5-sulfonate
CID 23694642
N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide
CID 136502253
2-[(1E,3Z,5E)-3-bromo-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]-1,3,3-trimethyl-2H-indole-5-sulfonic acid
CID 175823615
9,10-dioxoanthracene-2,7-disulfonate
CID 3731589
disodium;9H-fluorene-2,7-disulfonate
CID 21178460
6-[2,3-dimethyl-5-sulfo-3-(3-sulfopropyl)-2H-indol-1-yl]hexanoic acid
CID 141383564
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate?
The IUPAC name of (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate (CID 2307444) is (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate.
What is the SMILES notation for (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate?
The canonical SMILES for (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate is C[C@H]1N(C)c2ccc(S(=O)(=O)[O-])cc2C1(C)C.
What is the InChIKey of (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate?
The InChIKey is BLVOOYINOLCUHY-MRVPVSSYSA-M. The full InChI is InChI=1S/C12H17NO3S/c1-8-12(2,3)10-7-9(17(14,15)16)5-6-11(10)13(8)4/h5-8H,1-4H3,(H,14,15,16)/p-1/t8-/m1/s1.
What are the key properties of (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate?
(2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate has a molecular weight of 254.33 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2,3,3-tetramethyl-2H-indole-5-sulfonate is sourced from PubChem (CID 2307444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).