N-(4-bromopentyl)-3-methylbutane-1-sulfonamide

C10H22BrNO2S — CID 106135738

IUPACN-(4-bromopentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCCC(C)Br
InChIInChI=1S/C10H22BrNO2S/c1-9(2)6-8-15(13,14)12-7-4-5-10(3)11/h9-10,12H,4-8H2,1-3H3
InChIKeyRXCSKTMZAKDERN-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.52
Rot. Bonds8

About N-(4-bromopentyl)-3-methylbutane-1-sulfonamide

N-(4-bromopentyl)-3-methylbutane-1-sulfonamide (PubChem CID 106135738) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(4-bromopentyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-3-methylbutane-1-sulfonamide
PubChem CID106135738
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(4-bromopentyl)-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCCC(C)Br
InChIInChI=1S/C10H22BrNO2S/c1-9(2)6-8-15(13,14)12-7-4-5-10(3)11/h9-10,12H,4-8H2,1-3H3
InChIKeyRXCSKTMZAKDERN-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
N-(3-bromo-4-methoxybutyl)-3-methylbutane-1-sulfonamide
CID 106245684
N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
CID 56795208
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
N-(2-hydroxyethyl)-4-methylpentane-1-sulfonamide
CID 144745139
N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
CID 63856064
3-chloro-N-(3-methylbutyl)propane-1-sulfonamide
CID 43654031
N-(2-bromo-4,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 107158135
N-acetyl-N-[2-(3-methylbutylsulfonylamino)ethyl]-2-propan-2-ylsulfanylacetamide
CID 166780849
N-(4-aminopentyl)butane-1-sulfonamide
CID 106125942
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(4-bromopentyl)-3-methylbutane-1-sulfonamide (CID 106135738) is N-(4-bromopentyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-bromopentyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(4-bromopentyl)-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NCCCC(C)Br.
What is the InChIKey of N-(4-bromopentyl)-3-methylbutane-1-sulfonamide?
The InChIKey is RXCSKTMZAKDERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-9(2)6-8-15(13,14)12-7-4-5-10(3)11/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-(4-bromopentyl)-3-methylbutane-1-sulfonamide?
N-(4-bromopentyl)-3-methylbutane-1-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 106135738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).