(1R)-1-(1,4-oxathian-2-yl)ethanamine

C6H13NOS — CID 104932096

IUPAC(1R)-1-(1,4-oxathian-2-yl)ethanamine
SMILESC[C@@H](N)C1CSCCO1
InChIInChI=1S/C6H13NOS/c1-5(7)6-4-9-3-2-8-6/h5-6H,2-4,7H2,1H3/t5-,6?/m1/s1
InChIKeyNDXRGBOKXWWZKA-LWOQYNTDSA-N
MW147.24 g/mol
LogP0.47
Rot. Bonds1

About (1R)-1-(1,4-oxathian-2-yl)ethanamine

(1R)-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 104932096) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (1R)-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID104932096
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(1R)-1-(1,4-oxathian-2-yl)ethanamine
SMILESC[C@@H](N)C1CSCCO1
InChIInChI=1S/C6H13NOS/c1-5(7)6-4-9-3-2-8-6/h5-6H,2-4,7H2,1H3/t5-,6?/m1/s1
InChIKeyNDXRGBOKXWWZKA-LWOQYNTDSA-N
XLogP0.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(1,4-oxathian-2-yl)ethanamine 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

(1,4-Oxathian-2-yl)methanamine
CID 79902582
1,3-Oxathian-5-amine
CID 67191829
1,3-Oxathian-2-ylmethanamine
CID 70262500
4-Methoxythian-3-amine
CID 82417682
N-methyl-1-(1,4-oxathian-2-yl)methanamine
CID 121597617
4-Methoxythiolan-3-amine
CID 146320313
1-(1-Tert-butylsulfanylpropan-2-yloxy)propan-2-amine
CID 167226509
1-(1-Propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine
CID 170120030
(2-Methyl-1,3-oxathiolan-5-yl)methanamine
CID 55290526
3-Butylsulfanyl-2-ethoxypropan-1-amine
CID 63071410
2-Ethoxy-3-propan-2-ylsulfanylpropan-1-amine
CID 63071607
2-Ethoxy-3-methylsulfanylpropan-1-amine
CID 63071609

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of (1R)-1-(1,4-oxathian-2-yl)ethanamine (CID 104932096) is (1R)-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(1,4-oxathian-2-yl)ethanamine is C[C@@H](N)C1CSCCO1.
What is the InChIKey of (1R)-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is NDXRGBOKXWWZKA-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(7)6-4-9-3-2-8-6/h5-6H,2-4,7H2,1H3/t5-,6?/m1/s1.
What are the key properties of (1R)-1-(1,4-oxathian-2-yl)ethanamine?
(1R)-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 147.24 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 104932096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).