N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide

C10H20BrNO3S — CID 115364914

IUPACN-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(CBr)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H20BrNO3S/c1-9(2,6-11)7-12-8(13)10(3,4)16(5,14)15/h6-7H2,1-5H3,(H,12,13)
InChIKeyDQZPRILSAJOESA-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.35
Rot. Bonds5

About N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide

N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 115364914) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID115364914
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(CBr)CNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H20BrNO3S/c1-9(2,6-11)7-12-8(13)10(3,4)16(5,14)15/h6-7H2,1-5H3,(H,12,13)
InChIKeyDQZPRILSAJOESA-UHFFFAOYSA-N
XLogP1.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114383819
2-ethyl-2-[[(2-methyl-2-methylsulfonylpropanoyl)amino]methyl]butanoic acid
CID 115429761
N-(3-iodopropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114504386
N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide
CID 106129452
4,4-dimethyl-6-[(2-methyl-2-methylsulfonylpropanoyl)amino]hexanoic acid
CID 65284262
2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide
CID 103512686
2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide
CID 10168574
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide
CID 106156757
(2R)-3-hydroxy-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 80750513
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
CID 107845591
N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114313788

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide (CID 115364914) is N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide is CC(C)(CBr)CNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is DQZPRILSAJOESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-9(2,6-11)7-12-8(13)10(3,4)16(5,14)15/h6-7H2,1-5H3,(H,12,13).
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide?
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 314.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 115364914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).