9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate

C20H23NO2S — CID 135015195

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2S/c1-13(2)19(12-24)21-20(22)23-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,24H,11-12H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyILFOEOAPBKVMCN-LJQANCHMSA-N
MW341.48 g/mol
LogP4.48
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate (PubChem CID 135015195) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate
PubChem CID135015195
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H23NO2S/c1-13(2)19(12-24)21-20(22)23-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,24H,11-12H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyILFOEOAPBKVMCN-LJQANCHMSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-(1-sulfanylpropan-2-yl)carbamate
CID 20732098
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
9H-fluoren-9-ylmethyl N-[(2R)-1-tert-butylsulfanyl-3-methylbutan-2-yl]carbamate
CID 165172999
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
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 101460179
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate (CID 135015195) is 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate is CC(C)[C@@H](CS)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate?
The InChIKey is ILFOEOAPBKVMCN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-13(2)19(12-24)21-20(22)23-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,24H,11-12H2,1-2H3,(H,21,22)/t19-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate has a molecular weight of 341.48 g/mol, XLogP of 4.48, 5 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-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate is sourced from PubChem (CID 135015195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).