N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide

C11H17BrN2O2S2 — CID 54987021

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
SMILESCN(Cc1csc(Br)c1)S(=O)(=O)C1CCCNC1
InChIInChI=1S/C11H17BrN2O2S2/c1-14(7-9-5-11(12)17-8-9)18(15,16)10-3-2-4-13-6-10/h5,8,10,13H,2-4,6-7H2,1H3
InChIKeyJNTXFZFSDJZDKV-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.02
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide

N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide (PubChem CID 54987021) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
PubChem CID54987021
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide
SMILESCN(Cc1csc(Br)c1)S(=O)(=O)C1CCCNC1
InChIInChI=1S/C11H17BrN2O2S2/c1-14(7-9-5-11(12)17-8-9)18(15,16)10-3-2-4-13-6-10/h5,8,10,13H,2-4,6-7H2,1H3
InChIKeyJNTXFZFSDJZDKV-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 81139627
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119299696
N-[(5-bromothiophen-3-yl)methyl]-N-ethylpiperidin-3-amine
CID 63638010
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 65421369
N-(cyclopentylmethyl)-N-methylpiperidine-3-sulfonamide
CID 63656754
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
N-[(4-methoxyphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 65421567
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide
CID 64552630
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 54986731
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
4-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 54982582

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide (CID 54987021) is N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide is CN(Cc1csc(Br)c1)S(=O)(=O)C1CCCNC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide?
The InChIKey is JNTXFZFSDJZDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-14(7-9-5-11(12)17-8-9)18(15,16)10-3-2-4-13-6-10/h5,8,10,13H,2-4,6-7H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide has a molecular weight of 353.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 54987021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).