2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide

C9H19BrN2O3S — CID 83084947

IUPAC2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)CBr
InChIInChI=1S/C9H19BrN2O3S/c1-5-12(16(14,15)7-10)6-8(13)11-9(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyJCWMNIYPRGMPPS-UHFFFAOYSA-N
MW315.23 g/mol
LogP0.91
Rot. Bonds5

About 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide

2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide (PubChem CID 83084947) has the molecular formula C9H19BrN2O3S and a molecular weight of 315.23 g/mol. Its IUPAC name is 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide
PubChem CID83084947
Molecular FormulaC9H19BrN2O3S
Molecular Weight315.23 g/mol
Exact Mass314.03
IUPAC Name2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)CBr
InChIInChI=1S/C9H19BrN2O3S/c1-5-12(16(14,15)7-10)6-8(13)11-9(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyJCWMNIYPRGMPPS-UHFFFAOYSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 50.91
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-tert-butyl-2-(diethylamino)acetamide;hydrochloride
CID 138397018
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-tert-butylacetamide
CID 40680174
N-tert-butyl-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149833
N-tert-butyl-2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 51169159
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
N-tert-butyl-2-[tert-butyl(methylsulfonyl)amino]acetamide
CID 89118215
N-tert-butyl-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 5175531
N-tert-butyl-3-(diethylamino)propanamide
CID 109030701
N-tert-butyl-2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 7937672
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
CID 2113270
1-bromo-N-[3-(dimethylamino)propyl]-N-ethylmethanesulfonamide
CID 102995887
methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181

Frequently Asked Questions

What is the IUPAC name of 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide (CID 83084947) is 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide is CCN(CC(=O)NC(C)(C)C)S(=O)(=O)CBr.
What is the InChIKey of 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide?
The InChIKey is JCWMNIYPRGMPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2O3S/c1-5-12(16(14,15)7-10)6-8(13)11-9(2,3)4/h5-7H2,1-4H3,(H,11,13).
What are the key properties of 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide?
2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide has a molecular weight of 315.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromomethylsulfonyl(ethyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 83084947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).