N-(5-bromo-4-methylpentyl)methanesulfonamide

C7H16BrNO2S — CID 106158701

IUPACN-(5-bromo-4-methylpentyl)methanesulfonamide
SMILESCC(CBr)CCCNS(C)(=O)=O
InChIInChI=1S/C7H16BrNO2S/c1-7(6-8)4-3-5-9-12(2,10)11/h7,9H,3-6H2,1-2H3
InChIKeyAKVZNMTYRCPITR-UHFFFAOYSA-N
MW258.18 g/mol
LogP1.35
Rot. Bonds6

About N-(5-bromo-4-methylpentyl)methanesulfonamide

N-(5-bromo-4-methylpentyl)methanesulfonamide (PubChem CID 106158701) has the molecular formula C7H16BrNO2S and a molecular weight of 258.18 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)methanesulfonamide
PubChem CID106158701
Molecular FormulaC7H16BrNO2S
Molecular Weight258.18 g/mol
Exact Mass257.01
IUPAC NameN-(5-bromo-4-methylpentyl)methanesulfonamide
SMILESCC(CBr)CCCNS(C)(=O)=O
InChIInChI=1S/C7H16BrNO2S/c1-7(6-8)4-3-5-9-12(2,10)11/h7,9H,3-6H2,1-2H3
InChIKeyAKVZNMTYRCPITR-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 51.35
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-(5-bromo-4-methylpentyl)-2-methylsulfonylpropanamide
CID 106157492
N-(5-methylhexyl)methanesulfonamide
CID 58970685
N-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide
CID 106158647
N-(5-bromo-4-methylpentyl)-1,1-dioxothiane-4-sulfonamide
CID 106158568
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
N-(5-bromopentyl)methanesulfonamide
CID 107323102
1,8-dibromo-2,7-dimethyloctane
CID 170903621
2,5-dibromo-N-(5-bromo-4-methylpentyl)-4-methylbenzenesulfonamide
CID 106158589
N-(5-bromo-4-methylpentyl)-3-methylbenzenesulfonamide
CID 106158703
N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342
N-(5-chloro-4-methylpentyl)-2-methylsulfonylethanesulfonamide
CID 106158833

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)methanesulfonamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)methanesulfonamide (CID 106158701) is N-(5-bromo-4-methylpentyl)methanesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)methanesulfonamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)methanesulfonamide is CC(CBr)CCCNS(C)(=O)=O.
What is the InChIKey of N-(5-bromo-4-methylpentyl)methanesulfonamide?
The InChIKey is AKVZNMTYRCPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrNO2S/c1-7(6-8)4-3-5-9-12(2,10)11/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(5-bromo-4-methylpentyl)methanesulfonamide?
N-(5-bromo-4-methylpentyl)methanesulfonamide has a molecular weight of 258.18 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)methanesulfonamide is sourced from PubChem (CID 106158701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).