1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide

C9H19BrN2O2S — CID 83092528

IUPAC1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)CBr)CC1
InChIInChI=1S/C9H19BrN2O2S/c1-3-12-6-4-9(5-7-12)11(2)15(13,14)8-10/h9H,3-8H2,1-2H3
InChIKeySUTPXRALZYYFMV-UHFFFAOYSA-N
MW299.23 g/mol
LogP1.08
Rot. Bonds4

About 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide

1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide (PubChem CID 83092528) has the molecular formula C9H19BrN2O2S and a molecular weight of 299.23 g/mol. Its IUPAC name is 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
PubChem CID83092528
Molecular FormulaC9H19BrN2O2S
Molecular Weight299.23 g/mol
Exact Mass298.04
IUPAC Name1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)CBr)CC1
InChIInChI=1S/C9H19BrN2O2S/c1-3-12-6-4-9(5-7-12)11(2)15(13,14)8-10/h9H,3-8H2,1-2H3
InChIKeySUTPXRALZYYFMV-UHFFFAOYSA-N
XLogP1.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide
CID 163266604
1-bromo-N-cycloheptyl-N-methylmethanesulfonamide
CID 83092714
N-methyl-N-(1-methylpiperidin-4-yl)ethanesulfonamide
CID 58035050
N-(1-ethylpiperidin-4-yl)-N,2,4,6-tetramethylbenzenesulfonamide
CID 36649144
N-(1-ethylpiperidin-4-yl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 35324512
N-(1-aminopiperidin-4-yl)-N-methylethanesulfonamide
CID 123333446
N-(1-ethylpiperidin-4-yl)-2-hydroxy-N-methylbenzenesulfonamide
CID 81242168
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467618
N-(1-ethylpiperidin-4-yl)-N,3,4-trimethylbenzenesulfonamide
CID 36649156
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
N-methyl-N-[1-[[(1R,2R)-2-methylcyclohexyl]methyl]piperidin-4-yl]ethanesulfonamide
CID 124828912
N-[1-(2-tert-butylsulfanylethyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 167837979

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide (CID 83092528) is 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide is CCN1CCC(N(C)S(=O)(=O)CBr)CC1.
What is the InChIKey of 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide?
The InChIKey is SUTPXRALZYYFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2O2S/c1-3-12-6-4-9(5-7-12)11(2)15(13,14)8-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide?
1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide has a molecular weight of 299.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-ethylpiperidin-4-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 83092528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).