N-(2-bromopropyl)-N-methyloxane-4-sulfonamide

C9H18BrNO3S — CID 80670975

IUPACN-(2-bromopropyl)-N-methyloxane-4-sulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H18BrNO3S/c1-8(10)7-11(2)15(12,13)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyCSQDVTZEIDZXTN-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.21
Rot. Bonds4

About N-(2-bromopropyl)-N-methyloxane-4-sulfonamide

N-(2-bromopropyl)-N-methyloxane-4-sulfonamide (PubChem CID 80670975) has the molecular formula C9H18BrNO3S and a molecular weight of 300.22 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methyloxane-4-sulfonamide
PubChem CID80670975
Molecular FormulaC9H18BrNO3S
Molecular Weight300.22 g/mol
Exact Mass299.02
IUPAC NameN-(2-bromopropyl)-N-methyloxane-4-sulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H18BrNO3S/c1-8(10)7-11(2)15(12,13)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyCSQDVTZEIDZXTN-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 51.21
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-methyloxane-4-sulfonamide?
The IUPAC name of N-(2-bromopropyl)-N-methyloxane-4-sulfonamide (CID 80670975) is N-(2-bromopropyl)-N-methyloxane-4-sulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methyloxane-4-sulfonamide?
The canonical SMILES for N-(2-bromopropyl)-N-methyloxane-4-sulfonamide is CC(Br)CN(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-bromopropyl)-N-methyloxane-4-sulfonamide?
The InChIKey is CSQDVTZEIDZXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3S/c1-8(10)7-11(2)15(12,13)9-3-5-14-6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-N-methyloxane-4-sulfonamide?
N-(2-bromopropyl)-N-methyloxane-4-sulfonamide has a molecular weight of 300.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methyloxane-4-sulfonamide is sourced from PubChem (CID 80670975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).