1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine

C13H20N2O2S — CID 61205850

IUPAC1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H20N2O2S/c1-14-10-12-6-5-9-15(11-12)18(16,17)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3
InChIKeyXZAIKKSWFZGOCT-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.31
Rot. Bonds4

About 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine

1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 61205850) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
PubChem CID61205850
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H20N2O2S/c1-14-10-12-6-5-9-15(11-12)18(16,17)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3
InChIKeyXZAIKKSWFZGOCT-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 120998970
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
1-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961417
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397032
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540587
N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 119960974
1-[1-(3-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961401
N-methyl-1-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977852
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine (CID 61205850) is 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is XZAIKKSWFZGOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14-10-12-6-5-9-15(11-12)18(16,17)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine?
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 268.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61205850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).