1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine

C13H19BrN2O2S — CID 115304834

IUPAC1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C13H19BrN2O2S/c1-13(15-2)6-8-16(9-7-13)19(17,18)12-5-3-4-11(14)10-12/h3-5,10,15H,6-9H2,1-2H3
InChIKeyFSJAJRORAJAMHU-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.21
Rot. Bonds3

About 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine

1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine (PubChem CID 115304834) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
PubChem CID115304834
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C13H19BrN2O2S/c1-13(15-2)6-8-16(9-7-13)19(17,18)12-5-3-4-11(14)10-12/h3-5,10,15H,6-9H2,1-2H3
InChIKeyFSJAJRORAJAMHU-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-methyl-4-(methylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 115304710
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol
CID 23765903
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617
1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine
CID 158822852
N,4-dimethyl-1-(2-methylphenyl)sulfonylpiperidin-4-amine
CID 115304789
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylpropanamide
CID 60516391
1-(3-bromophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845024
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
8-(3-bromophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3250843
1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 46799835
1-(3-bromophenyl)sulfonyl-2,2-dimethylpyrrolidin-3-one
CID 115275100

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine (CID 115304834) is 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine?
The InChIKey is FSJAJRORAJAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-13(15-2)6-8-16(9-7-13)19(17,18)12-5-3-4-11(14)10-12/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine?
1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine has a molecular weight of 347.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).