N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide

C10H21BrN2O2S — CID 83178467

IUPACN-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(C)CCBr)CC1
InChIInChI=1S/C10H21BrN2O2S/c1-9-4-7-13(8-5-9)16(14,15)12-10(2)3-6-11/h9-10,12H,3-8H2,1-2H3
InChIKeyMVDUJDALBFPPAB-UHFFFAOYSA-N
MW313.26 g/mol
LogP1.73
Rot. Bonds5

About N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide

N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide (PubChem CID 83178467) has the molecular formula C10H21BrN2O2S and a molecular weight of 313.26 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
PubChem CID83178467
Molecular FormulaC10H21BrN2O2S
Molecular Weight313.26 g/mol
Exact Mass312.05
IUPAC NameN-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC(C)CCBr)CC1
InChIInChI=1S/C10H21BrN2O2S/c1-9-4-7-13(8-5-9)16(14,15)12-10(2)3-6-11/h9-10,12H,3-8H2,1-2H3
InChIKeyMVDUJDALBFPPAB-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114294928
(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28784048
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
N-(4-bromobutan-2-yl)cyclopropanesulfonamide
CID 83180222
N-(1-chlorobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 65033436
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
1-(4-hydroxybutan-2-ylsulfamoyl)piperidine-4-carboxylic acid
CID 83177957
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
CID 42936366
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
N-(2,2-dimethoxyethyl)-4-methylpiperidine-1-sulfonamide
CID 62966636
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
CID 65030816
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide (CID 83178467) is N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC(C)CCBr)CC1.
What is the InChIKey of N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is MVDUJDALBFPPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O2S/c1-9-4-7-13(8-5-9)16(14,15)12-10(2)3-6-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide?
N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 313.26 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 83178467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).