1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine

C12H21NS — CID 80584362

IUPAC1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine
SMILESC1CSC(CNC(C2CC2)C2CC2)C1
InChIInChI=1S/C12H21NS/c1-2-11(14-7-1)8-13-12(9-3-4-9)10-5-6-10/h9-13H,1-8H2
InChIKeyXERDKOMMPNKRRB-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.66
Rot. Bonds5

About 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine

1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine (PubChem CID 80584362) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine
PubChem CID80584362
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine
SMILESC1CSC(CNC(C2CC2)C2CC2)C1
InChIInChI=1S/C12H21NS/c1-2-11(14-7-1)8-13-12(9-3-4-9)10-5-6-10/h9-13H,1-8H2
InChIKeyXERDKOMMPNKRRB-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine (CID 80584362) is 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine is C1CSC(CNC(C2CC2)C2CC2)C1.
What is the InChIKey of 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine?
The InChIKey is XERDKOMMPNKRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-2-11(14-7-1)8-13-12(9-3-4-9)10-5-6-10/h9-13H,1-8H2.
What are the key properties of 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine?
1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine has a molecular weight of 211.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine is sourced from PubChem (CID 80584362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).