1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine

C17H21BrN2O2S — CID 120709764

IUPAC1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C17H21BrN2O2S/c1-19-12-13-6-8-20(9-7-13)23(21,22)17-5-3-14-10-16(18)4-2-15(14)11-17/h2-5,10-11,13,19H,6-9,12H2,1H3
InChIKeyQXGMTKAHLOKLJM-UHFFFAOYSA-N
MW397.34 g/mol
LogP3.22
Rot. Bonds4

About 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine

1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 120709764) has the molecular formula C17H21BrN2O2S and a molecular weight of 397.34 g/mol. Its IUPAC name is 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
PubChem CID120709764
Molecular FormulaC17H21BrN2O2S
Molecular Weight397.34 g/mol
Exact Mass396.05
IUPAC Name1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1
InChIInChI=1S/C17H21BrN2O2S/c1-19-12-13-6-8-20(9-7-13)23(21,22)17-5-3-14-10-16(18)4-2-15(14)11-17/h2-5,10-11,13,19H,6-9,12H2,1H3
InChIKeyQXGMTKAHLOKLJM-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylisoindole-1,3-dione
CID 119978462
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978298
N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120875001
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
N,N,2-trimethyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylaniline;hydrochloride
CID 119978372
2-chloro-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 115752381
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine (CID 120709764) is 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1.
What is the InChIKey of 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is QXGMTKAHLOKLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2S/c1-19-12-13-6-8-20(9-7-13)23(21,22)17-5-3-14-10-16(18)4-2-15(14)11-17/h2-5,10-11,13,19H,6-9,12H2,1H3.
What are the key properties of 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 397.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-bromonaphthalen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 120709764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).