1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine

C13H19BrN2O2S — CID 61203801

IUPAC1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C13H19BrN2O2S/c1-15-9-11-5-4-8-16(10-11)19(17,18)13-7-3-2-6-12(13)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChIKeyQGEUSIWFMNGKSY-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.07
Rot. Bonds4

About 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine

1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 61203801) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
PubChem CID61203801
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C13H19BrN2O2S/c1-15-9-11-5-4-8-16(10-11)19(17,18)13-7-3-2-6-12(13)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChIKeyQGEUSIWFMNGKSY-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106061253
3-(2-bromoethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80674640
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-[1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 120999029
1-[1-(2,5-dibromo-4-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 81320268
1-[1-(4-bromo-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119960918
1-[(3R)-1-(2-chloro-3-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124688243
[2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999042
1-[(3S)-1-(5-bromo-2-methylthiophen-3-yl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124517199
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine (CID 61203801) is 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(S(=O)(=O)c2ccccc2Br)C1.
What is the InChIKey of 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is QGEUSIWFMNGKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-15-9-11-5-4-8-16(10-11)19(17,18)13-7-3-2-6-12(13)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3.
What are the key properties of 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine?
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 347.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 61203801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).