1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

C16H25NO3S — CID 62132538

IUPAC1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CC1CCS(=O)(=O)C1)CC(C)(C)CC2O
InChIInChI=1S/C16H25NO3S/c1-11-6-13-14(7-16(2,3)8-15(13)18)17(11)9-12-4-5-21(19,20)10-12/h6,12,15,18H,4-5,7-10H2,1-3H3
InChIKeyCZFCVUPFIVSSMG-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.24
Rot. Bonds2

About 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol

1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 62132538) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID62132538
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CC1CCS(=O)(=O)C1)CC(C)(C)CC2O
InChIInChI=1S/C16H25NO3S/c1-11-6-13-14(7-16(2,3)8-15(13)18)17(11)9-12-4-5-21(19,20)10-12/h6,12,15,18H,4-5,7-10H2,1-3H3
InChIKeyCZFCVUPFIVSSMG-UHFFFAOYSA-N
XLogP2.24
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol with MolForge

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-4,5,6,7-tetrahydroindol-4-amine
CID 62131127
2,6,6-trimethyl-1-(2-pyrrolidin-1-ylethyl)-5,7-dihydro-4H-indol-4-ol
CID 62640256
2,6,6-trimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-4H-indol-4-ol
CID 63826731
1-(2-chlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63465888
3-[(1,1-dioxothiolan-3-yl)methyl]-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66147608
2,6,6-trimethyl-1-pyridazin-3-yl-5,7-dihydro-4H-indol-4-ol
CID 116787763
1-cyclooctyl-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63466233
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-(1,1-dioxothiolan-3-yl)ethanone
CID 79403357
2-[1-[(1,1-dioxothiolan-3-yl)methyl]tetrazol-5-yl]-4-methylaniline
CID 65454521
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51943549
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 52507892
3-[(1,1-dioxothiolan-3-yl)methyl]-2-ethyl-5-methylimidazolidin-4-one
CID 83251863

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol (CID 62132538) is 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1CC1CCS(=O)(=O)C1)CC(C)(C)CC2O.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is CZFCVUPFIVSSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-11-6-13-14(7-16(2,3)8-15(13)18)17(11)9-12-4-5-21(19,20)10-12/h6,12,15,18H,4-5,7-10H2,1-3H3.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol?
1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 311.45 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)methyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 62132538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).