N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide

C13H20BrN3O2S — CID 106061253

IUPACN-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C13H20BrN3O2S/c1-15-9-11-5-4-8-17(10-11)20(18,19)16-13-7-3-2-6-12(13)14/h2-3,6-7,11,15-16H,4-5,8-10H2,1H3
InChIKeyYKWROGYKMSGXLY-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.04
Rot. Bonds5

About N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide

N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106061253) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106061253
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC NameN-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCN(S(=O)(=O)Nc2ccccc2Br)C1
InChIInChI=1S/C13H20BrN3O2S/c1-15-9-11-5-4-8-17(10-11)20(18,19)16-13-7-3-2-6-12(13)14/h2-3,6-7,11,15-16H,4-5,8-10H2,1H3
InChIKeyYKWROGYKMSGXLY-UHFFFAOYSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106088172
N-(2-bromo-4-chlorophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073482
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N-(2-chloro-5-methylphenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106087624
1-[1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 120999029
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961329
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
1-[(3S)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124684745
N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 120998970
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106058650
1-[1-(4-bromo-2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119960918

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106061253) is N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCN(S(=O)(=O)Nc2ccccc2Br)C1.
What is the InChIKey of N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is YKWROGYKMSGXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-15-9-11-5-4-8-17(10-11)20(18,19)16-13-7-3-2-6-12(13)14/h2-3,6-7,11,15-16H,4-5,8-10H2,1H3.
What are the key properties of N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106061253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).