9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate

C22H24N2O2S — CID 134917791

IUPAC9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate
SMILESO=C(NC(=S)NC1CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24N2O2S/c25-22(24-21(27)23-15-8-2-1-3-9-15)26-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20H,1-3,8-9,14H2,(H2,23,24,25,27)
InChIKeyXNWQHCHWQJSXGS-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.73
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate

9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate (PubChem CID 134917791) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate
PubChem CID134917791
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate
SMILESO=C(NC(=S)NC1CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24N2O2S/c25-22(24-21(27)23-15-8-2-1-3-9-15)26-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20H,1-3,8-9,14H2,(H2,23,24,25,27)
InChIKeyXNWQHCHWQJSXGS-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate
CID 138478780
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072
(3S)-3-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7015473
9H-fluoren-9-ylmethyl N-(1-cyclopentyl-2-hydroxyethyl)carbamate
CID 131162320
(3R)-4-cyclohexyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 7176369

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate (CID 134917791) is 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate is O=C(NC(=S)NC1CCCCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate?
The InChIKey is XNWQHCHWQJSXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-22(24-21(27)23-15-8-2-1-3-9-15)26-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h4-7,10-13,15,20H,1-3,8-9,14H2,(H2,23,24,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate?
9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate has a molecular weight of 380.51 g/mol, XLogP of 4.73, 3 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-(cyclohexylcarbamothioyl)carbamate is sourced from PubChem (CID 134917791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).