(1-carbamoyloxycyclohexyl) methanesulfonate

C8H15NO5S — CID 146454370

IUPAC(1-carbamoyloxycyclohexyl) methanesulfonate
SMILESCS(=O)(=O)OC1(OC(N)=O)CCCCC1
InChIInChI=1S/C8H15NO5S/c1-15(11,12)14-8(13-7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H2,9,10)
InChIKeyCWOFMLHACOKQON-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.72
Rot. Bonds3

About (1-carbamoyloxycyclohexyl) methanesulfonate

(1-carbamoyloxycyclohexyl) methanesulfonate (PubChem CID 146454370) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is (1-carbamoyloxycyclohexyl) methanesulfonate.

Molecular Properties

Compound Name(1-carbamoyloxycyclohexyl) methanesulfonate
PubChem CID146454370
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name(1-carbamoyloxycyclohexyl) methanesulfonate
SMILESCS(=O)(=O)OC1(OC(N)=O)CCCCC1
InChIInChI=1S/C8H15NO5S/c1-15(11,12)14-8(13-7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H2,9,10)
InChIKeyCWOFMLHACOKQON-UHFFFAOYSA-N
XLogP0.72
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclohexyl) carbamate;hydrochloride
CID 143520361
1-(methanesulfonamido)cyclohexane-1-carboxamide
CID 47410821
[1-(1-aminoethyl)cyclopropyl] carbamate
CID 175169342
(1-carbamoyloxy-2,2-dihydroxycyclohexyl) carbamate
CID 67610798
[1-(2-methylpropyl)cyclohexyl] methanesulfonate
CID 142794545
(1-methylcyclohexyl) carbamate;(1-methylcyclohexyl)carbamic acid
CID 175741897
(1-hydroxycyclohexyl)methyl methanesulfonate
CID 90762555
[1-[(3,5-dimethoxyphenyl)methyl]cyclohexyl] carbamate
CID 21470643
1-methylsulfonylcyclohexan-1-ol
CID 91081650
[[1-(trifluoromethyl)cyclopentyl]oxycarbonylamino] methanesulfonate
CID 162539305
3-tert-butyl-3-methylsulfonyloxy-2-azaspiro[3.5]nonane-2-carboxylic acid
CID 175938483
2-(1-methylsulfonyloxycyclopropyl)acetic acid
CID 11816387

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyloxycyclohexyl) methanesulfonate?
The IUPAC name of (1-carbamoyloxycyclohexyl) methanesulfonate (CID 146454370) is (1-carbamoyloxycyclohexyl) methanesulfonate.
What is the SMILES notation for (1-carbamoyloxycyclohexyl) methanesulfonate?
The canonical SMILES for (1-carbamoyloxycyclohexyl) methanesulfonate is CS(=O)(=O)OC1(OC(N)=O)CCCCC1.
What is the InChIKey of (1-carbamoyloxycyclohexyl) methanesulfonate?
The InChIKey is CWOFMLHACOKQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-15(11,12)14-8(13-7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H2,9,10).
What are the key properties of (1-carbamoyloxycyclohexyl) methanesulfonate?
(1-carbamoyloxycyclohexyl) methanesulfonate has a molecular weight of 237.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyloxycyclohexyl) methanesulfonate is sourced from PubChem (CID 146454370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).