N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide

C9H20BrNO3S — CID 107206313

IUPACN-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CCCCCBr
InChIInChI=1S/C9H20BrNO3S/c1-11(7-5-3-4-6-10)15(12,13)9-8-14-2/h3-9H2,1-2H3
InChIKeyWXOXYKRRQDFPFE-UHFFFAOYSA-N
MW302.23 g/mol
LogP1.46
Rot. Bonds9

About N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide

N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide (PubChem CID 107206313) has the molecular formula C9H20BrNO3S and a molecular weight of 302.23 g/mol. Its IUPAC name is N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide
PubChem CID107206313
Molecular FormulaC9H20BrNO3S
Molecular Weight302.23 g/mol
Exact Mass301.03
IUPAC NameN-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide
SMILESCOCCS(=O)(=O)N(C)CCCCCBr
InChIInChI=1S/C9H20BrNO3S/c1-11(7-5-3-4-6-10)15(12,13)9-8-14-2/h3-9H2,1-2H3
InChIKeyWXOXYKRRQDFPFE-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2-ethoxy-N-methylethanesulfonamide
CID 107206344
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
N-(3-bromopropyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 106441750
N-(3-bromopropyl)-N,3-dimethylbutane-1-sulfonamide
CID 106441706
1-bromo-4-(2-methoxyethylsulfonyl)butane
CID 43445961
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]butanoate
CID 107198654
N-(3-methoxypropyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63010138
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
CID 107492779
1-bromo-N-(5-hydroxypentyl)-N-methylmethanesulfonamide
CID 107203162
3-[3-methoxypropylsulfonyl(methyl)amino]propanethioamide
CID 63290273
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide?
The IUPAC name of N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide (CID 107206313) is N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide is COCCS(=O)(=O)N(C)CCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide?
The InChIKey is WXOXYKRRQDFPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO3S/c1-11(7-5-3-4-6-10)15(12,13)9-8-14-2/h3-9H2,1-2H3.
What are the key properties of N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide?
N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide has a molecular weight of 302.23 g/mol, XLogP of 1.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2-methoxy-N-methylethanesulfonamide is sourced from PubChem (CID 107206313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).