[1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride

C12H19ClN2O2S — CID 47002537

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H18N2O2S.ClH/c13-10-11-6-8-14(9-7-11)17(15,16)12-4-2-1-3-5-12;/h1-5,11H,6-10,13H2;1H
InChIKeyCDYCJUHPBGILGM-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.47
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride

[1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 47002537) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID47002537
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H18N2O2S.ClH/c13-10-11-6-8-14(9-7-11)17(15,16)12-4-2-1-3-5-12;/h1-5,11H,6-10,13H2;1H
InChIKeyCDYCJUHPBGILGM-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 78733
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CID 761422
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CID 2842402
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CID 10023529
CID 10023529
CID 4194972
CID 4194972
CID 5063897
CID 5063897
CID 1166972
CID 1166972
CID 118308417
CID 118308417
CID 755367
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CID 2537450
CID 2537450
CID 2997897
CID 2997897

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride (CID 47002537) is [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is CDYCJUHPBGILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c13-10-11-6-8-14(9-7-11)17(15,16)12-4-2-1-3-5-12;/h1-5,11H,6-10,13H2;1H.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride?
[1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 47002537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).