5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine

C13H27NOS — CID 103031263

IUPAC5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine
SMILESCOC(C)(C)CCC(N)CC1CCSCC1
InChIInChI=1S/C13H27NOS/c1-13(2,15-3)7-4-12(14)10-11-5-8-16-9-6-11/h11-12H,4-10,14H2,1-3H3
InChIKeyPZDYHEHDJMCFFS-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.05
Rot. Bonds6

About 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine

5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine (PubChem CID 103031263) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine
PubChem CID103031263
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine
SMILESCOC(C)(C)CCC(N)CC1CCSCC1
InChIInChI=1S/C13H27NOS/c1-13(2,15-3)7-4-12(14)10-11-5-8-16-9-6-11/h11-12H,4-10,14H2,1-3H3
InChIKeyPZDYHEHDJMCFFS-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine 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 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine (CID 103031263) is 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine is COC(C)(C)CCC(N)CC1CCSCC1.
What is the InChIKey of 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine?
The InChIKey is PZDYHEHDJMCFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-13(2,15-3)7-4-12(14)10-11-5-8-16-9-6-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine?
5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine has a molecular weight of 245.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-(thian-4-yl)hexan-2-amine is sourced from PubChem (CID 103031263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).