9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate

C24H23NO3S — CID 123872102

IUPAC9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1OCCc2ccsc21
InChIInChI=1S/C24H23NO3S/c1-15(22-23-16(10-12-27-22)11-13-29-23)25-24(26)28-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,11,13,15,21-22H,10,12,14H2,1H3,(H,25,26)/t15-,22+/m0/s1
InChIKeySWPRMPUZHRHCRX-OYHNWAKOSA-N
MW405.52 g/mol
LogP5.29
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate

9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate (PubChem CID 123872102) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate
PubChem CID123872102
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1OCCc2ccsc21
InChIInChI=1S/C24H23NO3S/c1-15(22-23-16(10-12-27-22)11-13-29-23)25-24(26)28-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,11,13,15,21-22H,10,12,14H2,1H3,(H,25,26)/t15-,22+/m0/s1
InChIKeySWPRMPUZHRHCRX-OYHNWAKOSA-N
XLogP5.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
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(2R,5S)-5-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxolane-2-carboxylic acid
CID 10523885
[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid
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9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
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CID 101460179
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
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2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-ylpropanoate
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9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate (CID 123872102) is 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate is C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1OCCc2ccsc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate?
The InChIKey is SWPRMPUZHRHCRX-OYHNWAKOSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-15(22-23-16(10-12-27-22)11-13-29-23)25-24(26)28-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,11,13,15,21-22H,10,12,14H2,1H3,(H,25,26)/t15-,22+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate has a molecular weight of 405.52 g/mol, XLogP of 5.29, 4 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-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate is sourced from PubChem (CID 123872102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).