9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate

C18H19NO2S — CID 20732098

IUPAC9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
SMILESCC(CS)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO2S/c1-12(11-22)19-18(20)21-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,22H,10-11H2,1H3,(H,19,20)
InChIKeyVHHOQQMSKOYFQF-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.84
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate

9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate (PubChem CID 20732098) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
PubChem CID20732098
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
SMILESCC(CS)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO2S/c1-12(11-22)19-18(20)21-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,22H,10-11H2,1H3,(H,19,20)
InChIKeyVHHOQQMSKOYFQF-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
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9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
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9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
methyl (2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-sulfanylpropanoate
CID 12967892
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate (CID 20732098) is 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate is CC(CS)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate?
The InChIKey is VHHOQQMSKOYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-12(11-22)19-18(20)21-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17,22H,10-11H2,1H3,(H,19,20).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate?
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate has a molecular weight of 313.42 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate is sourced from PubChem (CID 20732098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).