(1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride

C7H17ClN2O2S — CID 53256363

IUPAC(1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride
SMILESCS(=O)(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-4-2-7(6-8)3-5-9;/h7H,2-6,8H2,1H3;1H
InChIKeyNZFSEJDFGLXOJG-UHFFFAOYSA-N
MW228.74 g/mol
LogP0.04
Rot. Bonds2

About (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride

(1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride (PubChem CID 53256363) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride
PubChem CID53256363
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC Name(1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride
SMILESCS(=O)(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-4-2-7(6-8)3-5-9;/h7H,2-6,8H2,1H3;1H
InChIKeyNZFSEJDFGLXOJG-UHFFFAOYSA-N
XLogP0.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride (CID 53256363) is (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride is CS(=O)(=O)N1CCC(CN)CC1.Cl.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride?
The InChIKey is NZFSEJDFGLXOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-12(10,11)9-4-2-7(6-8)3-5-9;/h7H,2-6,8H2,1H3;1H.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride?
(1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 53256363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).