N-dodecan-2-yloxysulfonylcarbamate

C13H26NO5S- — CID 19796839

IUPACN-dodecan-2-yloxysulfonylcarbamate
SMILESCCCCCCCCCCC(C)OS(=O)(=O)NC(=O)[O-]
InChIInChI=1S/C13H27NO5S/c1-3-4-5-6-7-8-9-10-11-12(2)19-20(17,18)14-13(15)16/h12,14H,3-11H2,1-2H3,(H,15,16)/p-1
InChIKeyQKEBNOFJGGNJJE-UHFFFAOYSA-M
MW308.42 g/mol
LogP2.10
Rot. Bonds12

About N-dodecan-2-yloxysulfonylcarbamate

N-dodecan-2-yloxysulfonylcarbamate (PubChem CID 19796839) has the molecular formula C13H26NO5S- and a molecular weight of 308.42 g/mol. Its IUPAC name is N-dodecan-2-yloxysulfonylcarbamate.

Molecular Properties

Compound NameN-dodecan-2-yloxysulfonylcarbamate
PubChem CID19796839
Molecular FormulaC13H26NO5S-
Molecular Weight308.42 g/mol
Exact Mass308.15
IUPAC NameN-dodecan-2-yloxysulfonylcarbamate
SMILESCCCCCCCCCCC(C)OS(=O)(=O)NC(=O)[O-]
InChIInChI=1S/C13H27NO5S/c1-3-4-5-6-7-8-9-10-11-12(2)19-20(17,18)14-13(15)16/h12,14H,3-11H2,1-2H3,(H,15,16)/p-1
InChIKeyQKEBNOFJGGNJJE-UHFFFAOYSA-M
XLogP2.10
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

octan-2-yl ethanesulfonate
CID 89439714
[(2R)-dodecan-2-yl] hydrogen sulfate
CID 101191211
heptan-2-yl ethanesulfonate
CID 89439773
azanium dodecan-2-yl sulfate
CID 141333110
potassium octan-2-yl sulfate
CID 101286744
hexadecan-2-yloxysulfonyl 3-aminopropanoate
CID 175194098
[(2R)-hexadecan-2-yl]oxy-methyl-oxo-sulfanylidene-λ6-sulfane
CID 124524473
2-nitrosulfonyloxyoctane
CID 174611671
[(2R)-octan-2-yl]oxy-octyl-oxo-sulfanylidene-λ6-sulfane
CID 124674172
sulfuric acid;O-tetradecan-2-ylhydroxylamine
CID 88818461
pentacosan-2-yl acetate
CID 173416941
heptadecan-2-yl hydrogen carbonate
CID 87300493

Frequently Asked Questions

What is the IUPAC name of N-dodecan-2-yloxysulfonylcarbamate?
The IUPAC name of N-dodecan-2-yloxysulfonylcarbamate (CID 19796839) is N-dodecan-2-yloxysulfonylcarbamate.
What is the SMILES notation for N-dodecan-2-yloxysulfonylcarbamate?
The canonical SMILES for N-dodecan-2-yloxysulfonylcarbamate is CCCCCCCCCCC(C)OS(=O)(=O)NC(=O)[O-].
What is the InChIKey of N-dodecan-2-yloxysulfonylcarbamate?
The InChIKey is QKEBNOFJGGNJJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H27NO5S/c1-3-4-5-6-7-8-9-10-11-12(2)19-20(17,18)14-13(15)16/h12,14H,3-11H2,1-2H3,(H,15,16)/p-1.
What are the key properties of N-dodecan-2-yloxysulfonylcarbamate?
N-dodecan-2-yloxysulfonylcarbamate has a molecular weight of 308.42 g/mol, XLogP of 2.10, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecan-2-yloxysulfonylcarbamate is sourced from PubChem (CID 19796839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).