N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine

C10H20BrNS — CID 65000547

IUPACN-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine
SMILESCN(CC(C)(C)CBr)C1CCSC1
InChIInChI=1S/C10H20BrNS/c1-10(2,7-11)8-12(3)9-4-5-13-6-9/h9H,4-8H2,1-3H3
InChIKeyQTXBVJUOVBOUEJ-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.84
Rot. Bonds4

About N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine

N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine (PubChem CID 65000547) has the molecular formula C10H20BrNS and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine
PubChem CID65000547
Molecular FormulaC10H20BrNS
Molecular Weight266.25 g/mol
Exact Mass265.05
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine
SMILESCN(CC(C)(C)CBr)C1CCSC1
InChIInChI=1S/C10H20BrNS/c1-10(2,7-11)8-12(3)9-4-5-13-6-9/h9H,4-8H2,1-3H3
InChIKeyQTXBVJUOVBOUEJ-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromopropyl)-N-methylthiolan-3-amine
CID 61289340
N-(2-bromoethyl)-N-methylthiolan-3-amine
CID 61289343
N-(4-bromobutyl)-N-methylthiolan-3-amine
CID 61289344
N-(5-bromopentyl)-N-methylthiolan-3-amine
CID 64202775
N-(3-bromo-2-methylpropyl)-N-methylthiolan-3-amine
CID 64996032
4-(3-Bromo-2,2-dimethylpropyl)-3-methylthiomorpholine
CID 64998119
N-[2-(bromomethyl)-2-ethylbutyl]-N-methylthiolan-3-amine
CID 64998867
N-(3-bromo-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 65000232
N-[2-(bromomethyl)butyl]-N-methylthiolan-3-amine
CID 65000545
N-[2-(bromomethyl)pentyl]-N-methylthiolan-3-amine
CID 65011356
N-[2-(bromomethyl)-3-methylbutyl]-N-methylthiolan-3-amine
CID 65012191
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine
CID 65013954

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine (CID 65000547) is N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine is CN(CC(C)(C)CBr)C1CCSC1.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine?
The InChIKey is QTXBVJUOVBOUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNS/c1-10(2,7-11)8-12(3)9-4-5-13-6-9/h9H,4-8H2,1-3H3.
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine?
N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine has a molecular weight of 266.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-N-methylthiolan-3-amine is sourced from PubChem (CID 65000547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).