2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one

C14H15NOS — CID 801677

IUPAC2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one
SMILESCc1ccc2c3c([nH]c2c1)C(=O)CC(C)(C)S3
InChIInChI=1S/C14H15NOS/c1-8-4-5-9-10(6-8)15-12-11(16)7-14(2,3)17-13(9)12/h4-6,15H,7H2,1-3H3
InChIKeyNBDZPWNUNWWNAD-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.93
Rot. Bonds

About 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one

2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one (PubChem CID 801677) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one.

Molecular Properties

Compound Name2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one
PubChem CID801677
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one
SMILESCc1ccc2c3c([nH]c2c1)C(=O)CC(C)(C)S3
InChIInChI=1S/C14H15NOS/c1-8-4-5-9-10(6-8)15-12-11(16)7-14(2,3)17-13(9)12/h4-6,15H,7H2,1-3H3
InChIKeyNBDZPWNUNWWNAD-UHFFFAOYSA-N
XLogP3.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 285865
6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 607984
Murrayaquinone A
CID 127481
N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454851
2-Acetylcarbazole
CID 267332
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 684309
2-[(E)-2-methylpropylidene]-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 5881563
1-(2-methyl-1H-indol-3-yl)-2-[(4-methylphenyl)thio]ethanone
CID 937563
1H-Indole-2-carboxamide, 3-(phenylsulfonyl)-
CID 506863
2-methyl-9H-carbazole-1,4-dione
CID 14831900
2-Acetylindole
CID 589081
1-(7-methyl-9H-carbazol-3-yl)ethanone
CID 44191653

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one?
The IUPAC name of 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one (CID 801677) is 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one.
What is the SMILES notation for 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one?
The canonical SMILES for 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one is Cc1ccc2c3c([nH]c2c1)C(=O)CC(C)(C)S3.
What is the InChIKey of 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one?
The InChIKey is NBDZPWNUNWWNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-8-4-5-9-10(6-8)15-12-11(16)7-14(2,3)17-13(9)12/h4-6,15H,7H2,1-3H3.
What are the key properties of 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one?
2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one has a molecular weight of 245.35 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one is sourced from PubChem (CID 801677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).