1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide

C9H18BrNO3S — CID 83083949

IUPAC1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)CBr
InChIInChI=1S/C9H18BrNO3S/c1-8(9-3-4-9)11(5-6-14-2)15(12,13)7-10/h8-9H,3-7H2,1-2H3
InChIKeyFINCDGVCHHKKTJ-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.42
Rot. Bonds7

About 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide

1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 83083949) has the molecular formula C9H18BrNO3S and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide
PubChem CID83083949
Molecular FormulaC9H18BrNO3S
Molecular Weight300.22 g/mol
Exact Mass299.02
IUPAC Name1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(C(C)C1CC1)S(=O)(=O)CBr
InChIInChI=1S/C9H18BrNO3S/c1-8(9-3-4-9)11(5-6-14-2)15(12,13)7-10/h8-9H,3-7H2,1-2H3
InChIKeyFINCDGVCHHKKTJ-UHFFFAOYSA-N
XLogP1.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propane-2-sulfonamide
CID 62351553
1-bromo-N-(2-methoxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 83084265
2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947081
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-(methylamino)benzenesulfonamide
CID 62159021
4-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 61109788
3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 106545578
N-(1-cyclopropylethyl)-3-hydroxy-N-(2-methoxyethyl)benzenesulfonamide
CID 81258859
2-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylthiophene-3-sulfonamide
CID 102752886
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
2-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylsulfonylbutanamide
CID 60946822
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
1-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 63928354

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide (CID 83083949) is 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide is COCCN(C(C)C1CC1)S(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is FINCDGVCHHKKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3S/c1-8(9-3-4-9)11(5-6-14-2)15(12,13)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide?
1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 300.22 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 83083949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).