[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride

C13H23ClN2O3S — CID 102553899

IUPAC[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCCC(C)C2CN)c(C)o1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-9-5-4-6-15(12(9)8-14)19(16,17)13-7-10(2)18-11(13)3;/h7,9,12H,4-6,8,14H2,1-3H3;1H
InChIKeyKTQQQYOPHMBQSO-UHFFFAOYSA-N
MW322.86 g/mol
LogP2.07
Rot. Bonds3

About [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride

[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 102553899) has the molecular formula C13H23ClN2O3S and a molecular weight of 322.86 g/mol. Its IUPAC name is [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID102553899
Molecular FormulaC13H23ClN2O3S
Molecular Weight322.86 g/mol
Exact Mass322.11
IUPAC Name[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCCC(C)C2CN)c(C)o1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-9-5-4-6-15(12(9)8-14)19(16,17)13-7-10(2)18-11(13)3;/h7,9,12H,4-6,8,14H2,1-3H3;1H
InChIKeyKTQQQYOPHMBQSO-UHFFFAOYSA-N
XLogP2.07
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984801
[1-(2,4-difluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984795
[1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984882
[1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 107328297
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868
[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984863
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 138017972
methyl 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119984950
[3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984901
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984843

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride (CID 102553899) is [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride is Cc1cc(S(=O)(=O)N2CCCC(C)C2CN)c(C)o1.Cl.
What is the InChIKey of [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is KTQQQYOPHMBQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S.ClH/c1-9-5-4-6-15(12(9)8-14)19(16,17)13-7-10(2)18-11(13)3;/h7,9,12H,4-6,8,14H2,1-3H3;1H.
What are the key properties of [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride?
[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 102553899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).