N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide

C9H18BrNO3S — CID 106441751

IUPACN-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCN(CCCBr)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H18BrNO3S/c1-11(6-3-5-10)15(12,13)8-9-4-2-7-14-9/h9H,2-8H2,1H3
InChIKeyKGGLHTWLBBHRCQ-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.21
Rot. Bonds6

About N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide

N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 106441751) has the molecular formula C9H18BrNO3S and a molecular weight of 300.22 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID106441751
Molecular FormulaC9H18BrNO3S
Molecular Weight300.22 g/mol
Exact Mass299.02
IUPAC NameN-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
SMILESCN(CCCBr)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C9H18BrNO3S/c1-11(6-3-5-10)15(12,13)8-9-4-2-7-14-9/h9H,2-8H2,1H3
InChIKeyKGGLHTWLBBHRCQ-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

(2R)-2-ethyloxolane
CID 641529
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63247520
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-(1-chloropropan-2-yl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 104556477
azane;2-ethyloxolane
CID 174465001
N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 79122258
N-methyl-1-(oxolan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanesulfonamide
CID 64518418
2-(3-bromopropyl)oxolane
CID 15783712
N-(3-aminopropyl)-N-cyclopentyl-1-(oxolan-2-yl)methanesulfonamide
CID 63246646
N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 110733190
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662
N-[4-(ethylamino)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 79123098

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide (CID 106441751) is N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide is CN(CCCBr)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is KGGLHTWLBBHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3S/c1-11(6-3-5-10)15(12,13)8-9-4-2-7-14-9/h9H,2-8H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide?
N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 300.22 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-methyl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 106441751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).