N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide

C9H20BrNO3S — CID 80667757

IUPACN-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H20BrNO3S/c1-8(2)14-5-6-15(12,13)11(4)7-9(3)10/h8-9H,5-7H2,1-4H3
InChIKeyRDHJHKMZZGCUFB-UHFFFAOYSA-N
MW302.23 g/mol
LogP1.46
Rot. Bonds7

About N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide

N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide (PubChem CID 80667757) has the molecular formula C9H20BrNO3S and a molecular weight of 302.23 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide
PubChem CID80667757
Molecular FormulaC9H20BrNO3S
Molecular Weight302.23 g/mol
Exact Mass301.03
IUPAC NameN-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H20BrNO3S/c1-8(2)14-5-6-15(12,13)11(4)7-9(3)10/h8-9H,5-7H2,1-4H3
InChIKeyRDHJHKMZZGCUFB-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide (CID 80667757) is N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide is CC(Br)CN(C)S(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide?
The InChIKey is RDHJHKMZZGCUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO3S/c1-8(2)14-5-6-15(12,13)11(4)7-9(3)10/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide?
N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide has a molecular weight of 302.23 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methyl-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 80667757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).