9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate

C24H19NO3S — CID 71602980

IUPAC9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)C(=O)CCS2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO3S/c26-22-11-12-29-23-10-9-15(13-20(22)23)25-24(27)28-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,13,21H,11-12,14H2,(H,25,27)
InChIKeyAHKBSIMVOJNKKH-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.73
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate

9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate (PubChem CID 71602980) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate
PubChem CID71602980
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC Name9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)C(=O)CCS2)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19NO3S/c26-22-11-12-29-23-10-9-15(13-20(22)23)25-24(27)28-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,13,21H,11-12,14H2,(H,25,27)
InChIKeyAHKBSIMVOJNKKH-UHFFFAOYSA-N
XLogP5.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
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9H-fluoren-9-ylmethyl N-(1,2-dihydroisoquinolin-6-yl)carbamate
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9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
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9H-fluoren-9-ylmethyl N-[3-amino-5-(hydroxymethyl)phenyl]carbamate
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9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
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9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate (CID 71602980) is 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate is O=C(Nc1ccc2c(c1)C(=O)CCS2)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate?
The InChIKey is AHKBSIMVOJNKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S/c26-22-11-12-29-23-10-9-15(13-20(22)23)25-24(27)28-14-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-10,13,21H,11-12,14H2,(H,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate?
9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate has a molecular weight of 401.49 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(4-oxo-2,3-dihydrothiochromen-6-yl)carbamate is sourced from PubChem (CID 71602980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).