(6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

C17H21NO3S — CID 24824474

IUPAC(6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2c[nH]c3cc(S(C)(=O)=O)ccc23)C1(C)C
InChIInChI=1S/C17H21NO3S/c1-16(2)15(17(16,3)4)14(19)12-9-18-13-8-10(22(5,20)21)6-7-11(12)13/h6-9,15,18H,1-5H3
InChIKeyIKHMMBSBKRNAOQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.44
Rot. Bonds3

About (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone

(6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24824474) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name(6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24824474
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name(6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2c[nH]c3cc(S(C)(=O)=O)ccc23)C1(C)C
InChIInChI=1S/C17H21NO3S/c1-16(2)15(17(16,3)4)14(19)12-9-18-13-8-10(22(5,20)21)6-7-11(12)13/h6-9,15,18H,1-5H3
InChIKeyIKHMMBSBKRNAOQ-UHFFFAOYSA-N
XLogP3.44
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24824474) is (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2c[nH]c3cc(S(C)(=O)=O)ccc23)C1(C)C.
What is the InChIKey of (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is IKHMMBSBKRNAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-16(2)15(17(16,3)4)14(19)12-9-18-13-8-10(22(5,20)21)6-7-11(12)13/h6-9,15,18H,1-5H3.
What are the key properties of (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone?
(6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 319.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfonyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24824474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).