N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine

C10H22BrNO3S — CID 106731282

IUPACN-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCOCCN(CCBr)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H22BrNO3S/c1-10(2)16(13,14)9-7-12(5-4-11)6-8-15-3/h10H,4-9H2,1-3H3
InChIKeySCJQZTKZZPNZLL-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.15
Rot. Bonds9

About N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine

N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine (PubChem CID 106731282) has the molecular formula C10H22BrNO3S and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
PubChem CID106731282
Molecular FormulaC10H22BrNO3S
Molecular Weight316.26 g/mol
Exact Mass315.05
IUPAC NameN-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
SMILESCOCCN(CCBr)CCS(=O)(=O)C(C)C
InChIInChI=1S/C10H22BrNO3S/c1-10(2)16(13,14)9-7-12(5-4-11)6-8-15-3/h10H,4-9H2,1-3H3
InChIKeySCJQZTKZZPNZLL-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
CID 106725354
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-ylsulfonylethyl)amino]acetate
CID 103734576
N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine
CID 106731287
ethane;2-[2-[2-methoxyethyl(2-sulfoethyl)amino]ethyl-methylamino]ethanesulfonic acid
CID 145098247
N-(2-bromoethyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 80668783
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methoxyethanesulfonamide
CID 107492779
2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)propane-2-sulfonamide
CID 64584190
2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
CID 106724838
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
2-[bis(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947908
1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 83084265

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The IUPAC name of N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine (CID 106731282) is N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The canonical SMILES for N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine is COCCN(CCBr)CCS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine?
The InChIKey is SCJQZTKZZPNZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO3S/c1-10(2)16(13,14)9-7-12(5-4-11)6-8-15-3/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine?
N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine has a molecular weight of 316.26 g/mol, XLogP of 1.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine is sourced from PubChem (CID 106731282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).