cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate

C19H29NO5S — CID 10762538

IUPACcyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)OC1CCCCC1
InChIInChI=1S/C19H29NO5S/c1-13(2)16-11-8-12-17(14(3)4)18(16)25-26(22,23)20-19(21)24-15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3,(H,20,21)
InChIKeyYRGLGOGAAKDCQU-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.62
Rot. Bonds6

About cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate

cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate (PubChem CID 10762538) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
PubChem CID10762538
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Namecyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)OC1CCCCC1
InChIInChI=1S/C19H29NO5S/c1-13(2)16-11-8-12-17(14(3)4)18(16)25-26(22,23)20-19(21)24-15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3,(H,20,21)
InChIKeyYRGLGOGAAKDCQU-UHFFFAOYSA-N
XLogP4.62
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PD 138142
CID 3025787
PD 138142-15
CID 10096821
Benzyloxycarbomoyl-carbamic acid 2,6-diisopropyl-phenyl ester
CID 10066789
(3-Phenyl-propyl)-carbamic acid2,6-diisopropyl-phenyl ester
CID 10091385
cis-2,6-Bis(1-methylethyl)cyclohexyl[[2,6-Bis(1-methylethyl)phenoxy]sulfonyl]carbamate
CID 10647959
(2,6-ditert-butyl-4-methylphenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 10649152
trans-2,6-Bis(1-methylethyl)cyclohexyl[[2,6-Bis(1-methylethyl)phenoxy]sulfonyl]carbamate
CID 10742892
[4-tert-butyl-2,6-di(propan-2-yl)phenyl] N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 10839623
Methyl[[2,6-Bis(1-methylethyl)phenoxy]sulfonyl]carbamate
CID 10519419
2,6-Bis(1-methylethyl)phenyl[[2,6-dimethylphenoxy]sulfonyl]carbamate
CID 10549272
[2,6-Bis(1-methylethyl)-4-fluoro]phenyl[[2,6-Bis(1-methylethyl)phenoxy]sulfonyl]carbamate
CID 10552707
2,4,6-Tri(1-methylethyl)phenyl[[2,4,6-Bis(1-methylethyl)phenoxy]sulfonyl]carbamate
CID 10554583

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The IUPAC name of cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate (CID 10762538) is cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate.
What is the SMILES notation for cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The canonical SMILES for cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate is CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
The InChIKey is YRGLGOGAAKDCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5S/c1-13(2)16-11-8-12-17(14(3)4)18(16)25-26(22,23)20-19(21)24-15-9-6-5-7-10-15/h8,11-15H,5-7,9-10H2,1-4H3,(H,20,21).
What are the key properties of cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate?
cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate has a molecular weight of 383.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate is sourced from PubChem (CID 10762538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).