1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride

C9H20ClN3O3S — CID 54594296

IUPAC1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C9H19N3O3S.ClH/c10-9-1-3-11(4-2-9)16(13,14)12-5-7-15-8-6-12;/h9H,1-8,10H2;1H
InChIKeyAMRIIFMHKXGOJW-UHFFFAOYSA-N
MW285.80 g/mol
LogP-0.59
Rot. Bonds2

About 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride

1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 54594296) has the molecular formula C9H20ClN3O3S and a molecular weight of 285.80 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID54594296
Molecular FormulaC9H20ClN3O3S
Molecular Weight285.80 g/mol
Exact Mass285.09
IUPAC Name1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C9H19N3O3S.ClH/c10-9-1-3-11(4-2-9)16(13,14)12-5-7-15-8-6-12;/h9H,1-8,10H2;1H
InChIKeyAMRIIFMHKXGOJW-UHFFFAOYSA-N
XLogP-0.59
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride (CID 54594296) is 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is AMRIIFMHKXGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S.ClH/c10-9-1-3-11(4-2-9)16(13,14)12-5-7-15-8-6-12;/h9H,1-8,10H2;1H.
What are the key properties of 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride?
1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 54594296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).