[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

C11H18Cl2N2O2S2 — CID 120707091

IUPAC[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCC(CN)CC2)sc1Cl.Cl
InChIInChI=1S/C11H17ClN2O2S2.ClH/c1-8-6-10(17-11(8)12)18(15,16)14-4-2-9(7-13)3-5-14;/h6,9H,2-5,7,13H2,1H3;1H
InChIKeyPWHWKGIDUJZEIF-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.49
Rot. Bonds3

About [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 120707091) has the molecular formula C11H18Cl2N2O2S2 and a molecular weight of 345.32 g/mol. Its IUPAC name is [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID120707091
Molecular FormulaC11H18Cl2N2O2S2
Molecular Weight345.32 g/mol
Exact Mass344.02
IUPAC Name[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCC(CN)CC2)sc1Cl.Cl
InChIInChI=1S/C11H17ClN2O2S2.ClH/c1-8-6-10(17-11(8)12)18(15,16)14-4-2-9(7-13)3-5-14;/h6,9H,2-5,7,13H2,1H3;1H
InChIKeyPWHWKGIDUJZEIF-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]methanamine
CID 43605263
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120713704
2-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 120712849
(3aS,6aR)-5-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120714104
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605278
1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 103100214
[1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 80742140
1-[1-(4,5-dimethylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 86784611

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 120707091) is [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is Cc1cc(S(=O)(=O)N2CCC(CN)CC2)sc1Cl.Cl.
What is the InChIKey of [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is PWHWKGIDUJZEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2.ClH/c1-8-6-10(17-11(8)12)18(15,16)14-4-2-9(7-13)3-5-14;/h6,9H,2-5,7,13H2,1H3;1H.
What are the key properties of [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 345.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120707091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).