methyl N-hexoxysulfinylcarbamate

C8H17NO4S — CID 20528025

IUPACmethyl N-hexoxysulfinylcarbamate
SMILESCCCCCCOS(=O)NC(=O)OC
InChIInChI=1S/C8H17NO4S/c1-3-4-5-6-7-13-14(11)9-8(10)12-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyPOAAVGQBLJLQSD-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.52
Rot. Bonds7

About methyl N-hexoxysulfinylcarbamate

methyl N-hexoxysulfinylcarbamate (PubChem CID 20528025) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is methyl N-hexoxysulfinylcarbamate.

Molecular Properties

Compound Namemethyl N-hexoxysulfinylcarbamate
PubChem CID20528025
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Namemethyl N-hexoxysulfinylcarbamate
SMILESCCCCCCOS(=O)NC(=O)OC
InChIInChI=1S/C8H17NO4S/c1-3-4-5-6-7-13-14(11)9-8(10)12-2/h3-7H2,1-2H3,(H,9,10)
InChIKeyPOAAVGQBLJLQSD-UHFFFAOYSA-N
XLogP1.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptadecyl hydrogen sulfite
CID 57062838
nonadecyl hydrogen sulfite
CID 57310669
pentadecyl pentyl sulfite
CID 6421054
pentyl undecyl sulfite
CID 6421050
methyl N-hexoxycarbonylcarbamate
CID 153299552
butyl tetradecyl sulfite
CID 6420804
butyl pentyl sulfite
CID 6420768
ethyl hexyl sulfite
CID 87282770
methyl N-nonylcarbamate
CID 5102101
methane;octyl sulfite
CID 159287523
carbonic acid;1-hydroperoxydocosane
CID 175324088
dodecyl (2S)-2-(methoxycarbonylamino)propanoate
CID 20836777

Frequently Asked Questions

What is the IUPAC name of methyl N-hexoxysulfinylcarbamate?
The IUPAC name of methyl N-hexoxysulfinylcarbamate (CID 20528025) is methyl N-hexoxysulfinylcarbamate.
What is the SMILES notation for methyl N-hexoxysulfinylcarbamate?
The canonical SMILES for methyl N-hexoxysulfinylcarbamate is CCCCCCOS(=O)NC(=O)OC.
What is the InChIKey of methyl N-hexoxysulfinylcarbamate?
The InChIKey is POAAVGQBLJLQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-3-4-5-6-7-13-14(11)9-8(10)12-2/h3-7H2,1-2H3,(H,9,10).
What are the key properties of methyl N-hexoxysulfinylcarbamate?
methyl N-hexoxysulfinylcarbamate has a molecular weight of 223.29 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hexoxysulfinylcarbamate is sourced from PubChem (CID 20528025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).