1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride

C8H22Cl2N2O3S — CID 73012370

IUPAC1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride
SMILESCS(=O)(=O)CCN1CCC(N)CC1.Cl.Cl.O
InChIInChI=1S/C8H18N2O2S.2ClH.H2O/c1-13(11,12)7-6-10-4-2-8(9)3-5-10;;;/h8H,2-7,9H2,1H3;2*1H;1H2
InChIKeyDZOCVXQUHZLOOR-UHFFFAOYSA-N
MW297.25 g/mol
LogP-0.53
Rot. Bonds3

About 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride

1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride (PubChem CID 73012370) has the molecular formula C8H22Cl2N2O3S and a molecular weight of 297.25 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride
PubChem CID73012370
Molecular FormulaC8H22Cl2N2O3S
Molecular Weight297.25 g/mol
Exact Mass296.07
IUPAC Name1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride
SMILESCS(=O)(=O)CCN1CCC(N)CC1.Cl.Cl.O
InChIInChI=1S/C8H18N2O2S.2ClH.H2O/c1-13(11,12)7-6-10-4-2-8(9)3-5-10;;;/h8H,2-7,9H2,1H3;2*1H;1H2
InChIKeyDZOCVXQUHZLOOR-UHFFFAOYSA-N
XLogP-0.53
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride?
The IUPAC name of 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride (CID 73012370) is 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride.
What is the SMILES notation for 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride?
The canonical SMILES for 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride is CS(=O)(=O)CCN1CCC(N)CC1.Cl.Cl.O.
What is the InChIKey of 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride?
The InChIKey is DZOCVXQUHZLOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.2ClH.H2O/c1-13(11,12)7-6-10-4-2-8(9)3-5-10;;;/h8H,2-7,9H2,1H3;2*1H;1H2.
What are the key properties of 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride?
1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride has a molecular weight of 297.25 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)piperidin-4-amine;hydrate;dihydrochloride is sourced from PubChem (CID 73012370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).