methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate

C8H14ClNO4S — CID 22615656

IUPACmethyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(=O)(=O)Cl)CCCCC1
InChIInChI=1S/C8H14ClNO4S/c1-14-7(11)8(10-15(9,12)13)5-3-2-4-6-8/h10H,2-6H2,1H3
InChIKeyXMQAUMYWZUQSRR-UHFFFAOYSA-N
MW255.72 g/mol
LogP0.94
Rot. Bonds3

About methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate

methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate (PubChem CID 22615656) has the molecular formula C8H14ClNO4S and a molecular weight of 255.72 g/mol. Its IUPAC name is methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate
PubChem CID22615656
Molecular FormulaC8H14ClNO4S
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC Namemethyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NS(=O)(=O)Cl)CCCCC1
InChIInChI=1S/C8H14ClNO4S/c1-14-7(11)8(10-15(9,12)13)5-3-2-4-6-8/h10H,2-6H2,1H3
InChIKeyXMQAUMYWZUQSRR-UHFFFAOYSA-N
XLogP0.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate (CID 22615656) is methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate is COC(=O)C1(NS(=O)(=O)Cl)CCCCC1.
What is the InChIKey of methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate?
The InChIKey is XMQAUMYWZUQSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO4S/c1-14-7(11)8(10-15(9,12)13)5-3-2-4-6-8/h10H,2-6H2,1H3.
What are the key properties of methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate?
methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate has a molecular weight of 255.72 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(chlorosulfonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 22615656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).