[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride

C14H23ClN2O2S — CID 71757298

IUPAC[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride
SMILESCC1CCN(S(=O)(=O)Cc2ccccc2CN)CC1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-12-6-8-16(9-7-12)19(17,18)11-14-5-3-2-4-13(14)10-15;/h2-5,12H,6-11,15H2,1H3;1H
InChIKeyDGBZWOKDQQMIDP-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.13
Rot. Bonds4

About [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride

[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride (PubChem CID 71757298) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride
PubChem CID71757298
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride
SMILESCC1CCN(S(=O)(=O)Cc2ccccc2CN)CC1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-12-6-8-16(9-7-12)19(17,18)11-14-5-3-2-4-13(14)10-15;/h2-5,12H,6-11,15H2,1H3;1H
InChIKeyDGBZWOKDQQMIDP-UHFFFAOYSA-N
XLogP2.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride?
The IUPAC name of [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride (CID 71757298) is [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride is CC1CCN(S(=O)(=O)Cc2ccccc2CN)CC1.Cl.
What is the InChIKey of [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride?
The InChIKey is DGBZWOKDQQMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-12-6-8-16(9-7-12)19(17,18)11-14-5-3-2-4-13(14)10-15;/h2-5,12H,6-11,15H2,1H3;1H.
What are the key properties of [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride?
[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 71757298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).