9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate

C21H23N5O2S — CID 25188529

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate
SMILESCSCC[C@@H](Cn1cnnn1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23N5O2S/c1-29-11-10-15(12-26-14-22-24-25-26)23-21(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20H,10-13H2,1H3,(H,23,27)/t15-/m0/s1
InChIKeyAQWYIEYVZKXAFX-HNNXBMFYSA-N
MW409.52 g/mol
LogP3.33
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate (PubChem CID 25188529) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate
PubChem CID25188529
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate
SMILESCSCC[C@@H](Cn1cnnn1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H23N5O2S/c1-29-11-10-15(12-26-14-22-24-25-26)23-21(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20H,10-13H2,1H3,(H,23,27)/t15-/m0/s1
InChIKeyAQWYIEYVZKXAFX-HNNXBMFYSA-N
XLogP3.33
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate
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9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate
CID 25188524
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]-4-methylsulfanylbutanoic acid
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4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylsulfanylhexanoic acid
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(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]propanoic acid
CID 23249730
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
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9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
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9H-fluoren-9-ylmethyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
CID 106182465
2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]-3-methoxybutanoic acid
CID 165448098
9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate (CID 25188529) is 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate is CSCC[C@@H](Cn1cnnn1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate?
The InChIKey is AQWYIEYVZKXAFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-29-11-10-15(12-26-14-22-24-25-26)23-21(27)28-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15,20H,10-13H2,1H3,(H,23,27)/t15-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate has a molecular weight of 409.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate is sourced from PubChem (CID 25188529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).