carbamoyl 4-methoxypiperidine-1-sulfonate

C7H14N2O5S — CID 174915158

IUPACcarbamoyl 4-methoxypiperidine-1-sulfonate
SMILESCOC1CCN(S(=O)(=O)OC(N)=O)CC1
InChIInChI=1S/C7H14N2O5S/c1-13-6-2-4-9(5-3-6)15(11,12)14-7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyPQZAFVAANSIAIK-UHFFFAOYSA-N
MW238.26 g/mol
LogP-0.56
Rot. Bonds3

About carbamoyl 4-methoxypiperidine-1-sulfonate

carbamoyl 4-methoxypiperidine-1-sulfonate (PubChem CID 174915158) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is carbamoyl 4-methoxypiperidine-1-sulfonate.

Molecular Properties

Compound Namecarbamoyl 4-methoxypiperidine-1-sulfonate
PubChem CID174915158
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Namecarbamoyl 4-methoxypiperidine-1-sulfonate
SMILESCOC1CCN(S(=O)(=O)OC(N)=O)CC1
InChIInChI=1S/C7H14N2O5S/c1-13-6-2-4-9(5-3-6)15(11,12)14-7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyPQZAFVAANSIAIK-UHFFFAOYSA-N
XLogP-0.56
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-methoxypiperidine-1-sulfonate?
The IUPAC name of carbamoyl 4-methoxypiperidine-1-sulfonate (CID 174915158) is carbamoyl 4-methoxypiperidine-1-sulfonate.
What is the SMILES notation for carbamoyl 4-methoxypiperidine-1-sulfonate?
The canonical SMILES for carbamoyl 4-methoxypiperidine-1-sulfonate is COC1CCN(S(=O)(=O)OC(N)=O)CC1.
What is the InChIKey of carbamoyl 4-methoxypiperidine-1-sulfonate?
The InChIKey is PQZAFVAANSIAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-13-6-2-4-9(5-3-6)15(11,12)14-7(8)10/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of carbamoyl 4-methoxypiperidine-1-sulfonate?
carbamoyl 4-methoxypiperidine-1-sulfonate has a molecular weight of 238.26 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-methoxypiperidine-1-sulfonate is sourced from PubChem (CID 174915158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).