9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate

C20H23NO3S — CID 106156061

IUPAC9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate
SMILESCSC(CO)C(C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO3S/c1-13(19(11-22)25-2)21-20(23)24-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyUNAFYPRKHMULBS-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.64
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate

9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate (PubChem CID 106156061) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate
PubChem CID106156061
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate
SMILESCSC(CO)C(C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO3S/c1-13(19(11-22)25-2)21-20(23)24-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyUNAFYPRKHMULBS-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
CID 4712559
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
methyl (3R)-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 59323923
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
methyl 2-(chloroamino)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 91501008
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate
CID 57368211
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate (CID 106156061) is 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate is CSC(CO)C(C)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate?
The InChIKey is UNAFYPRKHMULBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-13(19(11-22)25-2)21-20(23)24-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate?
9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate has a molecular weight of 357.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamate is sourced from PubChem (CID 106156061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).