N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide

C10H21BrN2O2S — CID 104556348

IUPACN-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)C(C)CBr)C1
InChIInChI=1S/C10H21BrN2O2S/c1-9-5-4-6-13(8-9)16(14,15)12(3)10(2)7-11/h9-10H,4-8H2,1-3H3
InChIKeyNGXFIJKHROMJQM-UHFFFAOYSA-N
MW313.26 g/mol
LogP1.68
Rot. Bonds4

About N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide

N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 104556348) has the molecular formula C10H21BrN2O2S and a molecular weight of 313.26 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID104556348
Molecular FormulaC10H21BrN2O2S
Molecular Weight313.26 g/mol
Exact Mass312.05
IUPAC NameN-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)C(C)CBr)C1
InChIInChI=1S/C10H21BrN2O2S/c1-9-5-4-6-13(8-9)16(14,15)12(3)10(2)7-11/h9-10H,4-8H2,1-3H3
InChIKeyNGXFIJKHROMJQM-UHFFFAOYSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 51.68
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-(2-bromoethyl)-3-methyl-N-pentan-3-ylpiperidine-1-sulfonamide
CID 80675030
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 99846935
N-(5-bromopentan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 114294928
(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 98672552
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 54983626
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide
CID 62009652
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide (CID 104556348) is N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)N(C)C(C)CBr)C1.
What is the InChIKey of N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is NGXFIJKHROMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O2S/c1-9-5-4-6-13(8-9)16(14,15)12(3)10(2)7-11/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide?
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 313.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 104556348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).