1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride

C12H25ClN2O3S — CID 120999650

IUPAC1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)C1CCCOC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-10(13)12-6-2-3-7-14(12)18(15,16)11-5-4-8-17-9-11;/h10-12H,2-9,13H2,1H3;1H
InChIKeyQLHCRWDPIIRYFE-UHFFFAOYSA-N
MW312.86 g/mol
LogP1.12
Rot. Bonds3

About 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride

1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 120999650) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
PubChem CID120999650
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC Name1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)C1CCCOC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-10(13)12-6-2-3-7-14(12)18(15,16)11-5-4-8-17-9-11;/h10-12H,2-9,13H2,1H3;1H
InChIKeyQLHCRWDPIIRYFE-UHFFFAOYSA-N
XLogP1.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride (CID 120999650) is 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)C1CCCOC1.Cl.
What is the InChIKey of 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is QLHCRWDPIIRYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-10(13)12-6-2-3-7-14(12)18(15,16)11-5-4-8-17-9-11;/h10-12H,2-9,13H2,1H3;1H.
What are the key properties of 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120999650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).