N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine

C10H18BrNS — CID 65013954

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CBr)CC1)C1CCSC1
InChIInChI=1S/C10H18BrNS/c1-12(9-2-5-13-6-9)8-10(7-11)3-4-10/h9H,2-8H2,1H3
InChIKeyZTPVYKSQLIUQFE-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.60
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine

N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine (PubChem CID 65013954) has the molecular formula C10H18BrNS and a molecular weight of 264.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine
PubChem CID65013954
Molecular FormulaC10H18BrNS
Molecular Weight264.23 g/mol
Exact Mass263.03
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CBr)CC1)C1CCSC1
InChIInChI=1S/C10H18BrNS/c1-12(9-2-5-13-6-9)8-10(7-11)3-4-10/h9H,2-8H2,1H3
InChIKeyZTPVYKSQLIUQFE-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine (CID 65013954) is N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine is CN(CC1(CBr)CC1)C1CCSC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine?
The InChIKey is ZTPVYKSQLIUQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNS/c1-12(9-2-5-13-6-9)8-10(7-11)3-4-10/h9H,2-8H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine?
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine has a molecular weight of 264.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 65013954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).