oxan-4-yl(thian-2-yl)methanamine

C11H21NOS — CID 80626243

IUPACoxan-4-yl(thian-2-yl)methanamine
SMILESNC(C1CCOCC1)C1CCCCS1
InChIInChI=1S/C11H21NOS/c12-11(9-4-6-13-7-5-9)10-3-1-2-8-14-10/h9-11H,1-8,12H2
InChIKeyFCVXPAWHCCKLLI-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.03
Rot. Bonds2

About oxan-4-yl(thian-2-yl)methanamine

oxan-4-yl(thian-2-yl)methanamine (PubChem CID 80626243) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is oxan-4-yl(thian-2-yl)methanamine.

Molecular Properties

Compound Nameoxan-4-yl(thian-2-yl)methanamine
PubChem CID80626243
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Nameoxan-4-yl(thian-2-yl)methanamine
SMILESNC(C1CCOCC1)C1CCCCS1
InChIInChI=1S/C11H21NOS/c12-11(9-4-6-13-7-5-9)10-3-1-2-8-14-10/h9-11H,1-8,12H2
InChIKeyFCVXPAWHCCKLLI-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze oxan-4-yl(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

Related Compounds

cycloheptyl(thiolan-2-yl)methanamine
CID 82932614
2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80621767
(1S)-1-(thian-2-yl)ethanamine
CID 104932067
oxan-4-yl(thiolan-3-yl)methanamine
CID 105147256
cyclopentyl(1,4-dithian-2-yl)methanamine
CID 79972497
cycloheptyl(1,4-dithian-2-yl)methanamine
CID 82932305
N-ethyl-2-(oxan-4-yl)-1-(thiolan-2-yl)ethanamine
CID 80622502
1,9-dioxaspiro[5.5]undecan-4-yl(thian-2-yl)methanol
CID 80622914
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564
[cyclopentyl(thian-2-yl)methyl]hydrazine
CID 105255702
2-methyl-1-(oxan-4-yl)propane-1,2-diamine
CID 116932713

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(thian-2-yl)methanamine?
The IUPAC name of oxan-4-yl(thian-2-yl)methanamine (CID 80626243) is oxan-4-yl(thian-2-yl)methanamine.
What is the SMILES notation for oxan-4-yl(thian-2-yl)methanamine?
The canonical SMILES for oxan-4-yl(thian-2-yl)methanamine is NC(C1CCOCC1)C1CCCCS1.
What is the InChIKey of oxan-4-yl(thian-2-yl)methanamine?
The InChIKey is FCVXPAWHCCKLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c12-11(9-4-6-13-7-5-9)10-3-1-2-8-14-10/h9-11H,1-8,12H2.
What are the key properties of oxan-4-yl(thian-2-yl)methanamine?
oxan-4-yl(thian-2-yl)methanamine has a molecular weight of 215.36 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl(thian-2-yl)methanamine is sourced from PubChem (CID 80626243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).