N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide

C12H23BrN2O2S — CID 80674883

IUPACN-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC2CC(Br)C2)C1
InChIInChI=1S/C12H23BrN2O2S/c1-10-4-3-5-15(8-10)18(16,17)14(2)9-11-6-12(13)7-11/h10-12H,3-9H2,1-2H3
InChIKeyJFWZZNLBKSOPGI-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.07
Rot. Bonds4

About N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide

N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 80674883) has the molecular formula C12H23BrN2O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID80674883
Molecular FormulaC12H23BrN2O2S
Molecular Weight339.30 g/mol
Exact Mass338.07
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC2CC(Br)C2)C1
InChIInChI=1S/C12H23BrN2O2S/c1-10-4-3-5-15(8-10)18(16,17)14(2)9-11-6-12(13)7-11/h10-12H,3-9H2,1-2H3
InChIKeyJFWZZNLBKSOPGI-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106135059
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide
CID 43602810
N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 114951821
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
N-[(3-bromocyclobutyl)methyl]-N-methylcyclohexanesulfonamide
CID 80674447

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide (CID 80674883) is N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)N(C)CC2CC(Br)C2)C1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is JFWZZNLBKSOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O2S/c1-10-4-3-5-15(8-10)18(16,17)14(2)9-11-6-12(13)7-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 339.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 80674883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).