9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane

C20H21NO4S — CID 157093133

IUPAC9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane
SMILESC[C@H]1OCC(=O)[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.S
InChIInChI=1S/C20H19NO4.H2S/c1-12-19(18(22)11-24-12)21-20(23)25-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;/h2-9,12,17,19H,10-11H2,1H3,(H,21,23);1H2/t12-,19+;/m1./s1
InChIKeyAEXASTTUYQZDBT-LHTCIHGGSA-N
MW371.46 g/mol
LogP2.99
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane

9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane (PubChem CID 157093133) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane
PubChem CID157093133
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane
SMILESC[C@H]1OCC(=O)[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.S
InChIInChI=1S/C20H19NO4.H2S/c1-12-19(18(22)11-24-12)21-20(23)25-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;/h2-9,12,17,19H,10-11H2,1H3,(H,21,23);1H2/t12-,19+;/m1./s1
InChIKeyAEXASTTUYQZDBT-LHTCIHGGSA-N
XLogP2.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2R,3R)-2-methyl-4-oxooxolan-3-yl]carbamate
CID 57457757
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072
9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 11130659
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
9H-fluoren-9-ylmethyl N-[(3R)-2,5-dioxooxolan-3-yl]carbamate
CID 102482315
4-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-1,3-dioxan-2-yl]benzoic acid
CID 85342909
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane (CID 157093133) is 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane is C[C@H]1OCC(=O)[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.S.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane?
The InChIKey is AEXASTTUYQZDBT-LHTCIHGGSA-N. The full InChI is InChI=1S/C20H19NO4.H2S/c1-12-19(18(22)11-24-12)21-20(23)25-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;/h2-9,12,17,19H,10-11H2,1H3,(H,21,23);1H2/t12-,19+;/m1./s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane?
9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane has a molecular weight of 371.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]carbamate;sulfane is sourced from PubChem (CID 157093133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).