N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine

C15H29NOS — CID 114623371

IUPACN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine
SMILESCNC(C1CCCCS1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H29NOS/c1-14(2)10-11(15(3,4)17-14)13(16-5)12-8-6-7-9-18-12/h11-13,16H,6-10H2,1-5H3
InChIKeyLTURFGOFVWFJSA-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.45
Rot. Bonds3

About N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine

N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine (PubChem CID 114623371) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine
PubChem CID114623371
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine
SMILESCNC(C1CCCCS1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H29NOS/c1-14(2)10-11(15(3,4)17-14)13(16-5)12-8-6-7-9-18-12/h11-13,16H,6-10H2,1-5H3
InChIKeyLTURFGOFVWFJSA-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)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 N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine?
The IUPAC name of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine (CID 114623371) is N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine is CNC(C1CCCCS1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine?
The InChIKey is LTURFGOFVWFJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-14(2)10-11(15(3,4)17-14)13(16-5)12-8-6-7-9-18-12/h11-13,16H,6-10H2,1-5H3.
What are the key properties of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine?
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine has a molecular weight of 271.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-(thian-2-yl)methanamine is sourced from PubChem (CID 114623371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).