N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide

C9H19BrN2O2S — CID 80671423

IUPACN-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H19BrN2O2S/c1-9(10)8-11(2)15(13,14)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3
InChIKeyNNWYOMTWDHYSSP-UHFFFAOYSA-N
MW299.23 g/mol
LogP1.43
Rot. Bonds4

About N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide

N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide (PubChem CID 80671423) has the molecular formula C9H19BrN2O2S and a molecular weight of 299.23 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide
PubChem CID80671423
Molecular FormulaC9H19BrN2O2S
Molecular Weight299.23 g/mol
Exact Mass298.04
IUPAC NameN-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H19BrN2O2S/c1-9(10)8-11(2)15(13,14)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3
InChIKeyNNWYOMTWDHYSSP-UHFFFAOYSA-N
XLogP1.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxypropyl)-N-methylpiperidine-1-sulfonamide
CID 62333146
N-(2-chloroethyl)-N-methylpyrrolidine-1-sulfonamide
CID 63396691
N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
CID 115317691
N-(2-hydroxy-2-methylpropyl)-N-methylazepane-1-sulfonamide
CID 79387780
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-amino-2,2-dimethylpropyl)-N-methylazepane-1-sulfonamide
CID 79653279
N-(2-bromopropyl)-N-methylethanesulfonamide
CID 80671739
N-(2-bromoethyl)-N-(2,2-difluoroethyl)azepane-1-sulfonamide
CID 107492735
N-[(2S)-2-amino-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide;N-[(2S)-2-isocyanato-3,3-dimethylbutyl]-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 157265456
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
methyl 2-methyl-3-[methyl(piperazin-1-ylsulfonyl)amino]propanoate
CID 61254382
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide (CID 80671423) is N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide is CC(Br)CN(C)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is NNWYOMTWDHYSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2O2S/c1-9(10)8-11(2)15(13,14)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide?
N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 299.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 80671423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).