N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide

C14H27BrN2O2S — CID 80669420

IUPACN-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCBr)C2CCCCC2)CC1
InChIInChI=1S/C14H27BrN2O2S/c1-13-7-10-16(11-8-13)20(18,19)17(12-9-15)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3
InChIKeyPQBBZACOCYXBCI-UHFFFAOYSA-N
MW367.35 g/mol
LogP2.99
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide

N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide (PubChem CID 80669420) has the molecular formula C14H27BrN2O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
PubChem CID80669420
Molecular FormulaC14H27BrN2O2S
Molecular Weight367.35 g/mol
Exact Mass366.10
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(CCBr)C2CCCCC2)CC1
InChIInChI=1S/C14H27BrN2O2S/c1-13-7-10-16(11-8-13)20(18,19)17(12-9-15)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3
InChIKeyPQBBZACOCYXBCI-UHFFFAOYSA-N
XLogP2.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide (CID 80669420) is N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(CCBr)C2CCCCC2)CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide?
The InChIKey is PQBBZACOCYXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O2S/c1-13-7-10-16(11-8-13)20(18,19)17(12-9-15)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide?
N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide has a molecular weight of 367.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 80669420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).