N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide

C7H16BrNO4S2 — CID 107323115

IUPACN-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCCCCBr
InChIInChI=1S/C7H16BrNO4S2/c1-14(10,11)7-15(12,13)9-6-4-2-3-5-8/h9H,2-7H2,1H3
InChIKeyRLYTYMFQKLXSJP-UHFFFAOYSA-N
MW322.25 g/mol
LogP0.47
Rot. Bonds8

About N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide

N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide (PubChem CID 107323115) has the molecular formula C7H16BrNO4S2 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
PubChem CID107323115
Molecular FormulaC7H16BrNO4S2
Molecular Weight322.25 g/mol
Exact Mass320.97
IUPAC NameN-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCCCCBr
InChIInChI=1S/C7H16BrNO4S2/c1-14(10,11)7-15(12,13)9-6-4-2-3-5-8/h9H,2-7H2,1H3
InChIKeyRLYTYMFQKLXSJP-UHFFFAOYSA-N
XLogP0.47
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromopentyl)methanesulfonamide
CID 107323102
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
6-(methylsulfonylmethylsulfonylamino)hexanoic acid
CID 82839698
N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106846746
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine
CID 107844608
5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107320276
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
N-(4-aminopentyl)-1-methylsulfonylmethanesulfonamide
CID 106125800
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide (CID 107323115) is N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is RLYTYMFQKLXSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrNO4S2/c1-14(10,11)7-15(12,13)9-6-4-2-3-5-8/h9H,2-7H2,1H3.
What are the key properties of N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide?
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 322.25 g/mol, XLogP of 0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 107323115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).