1-methylsulfonylpiperidin-4-amine;hydrochloride

C6H15ClN2O2S — CID 17221636

IUPAC1-methylsulfonylpiperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H
InChIKeyBASBDQBWDDKEDK-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.21
Rot. Bonds1

About 1-methylsulfonylpiperidin-4-amine;hydrochloride

1-methylsulfonylpiperidin-4-amine;hydrochloride (PubChem CID 17221636) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 1-methylsulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methylsulfonylpiperidin-4-amine;hydrochloride
PubChem CID17221636
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC Name1-methylsulfonylpiperidin-4-amine;hydrochloride
SMILESCS(=O)(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H
InChIKeyBASBDQBWDDKEDK-UHFFFAOYSA-N
XLogP-0.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-methylsulfonylpiperidin-4-amine;hydrochloride (CID 17221636) is 1-methylsulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-methylsulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-methylsulfonylpiperidin-4-amine;hydrochloride is CS(=O)(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-methylsulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is BASBDQBWDDKEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-4-2-6(7)3-5-8;/h6H,2-5,7H2,1H3;1H.
What are the key properties of 1-methylsulfonylpiperidin-4-amine;hydrochloride?
1-methylsulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 17221636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).