2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine

C11H23NOS — CID 107763469

IUPAC2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)C(C)SCC(N)C1CCOC1
InChIInChI=1S/C11H23NOS/c1-8(2)9(3)14-7-11(12)10-4-5-13-6-10/h8-11H,4-7,12H2,1-3H3
InChIKeyDJLXUVYRUCYTQZ-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.13
Rot. Bonds5

About 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine

2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 107763469) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
PubChem CID107763469
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(C)C(C)SCC(N)C1CCOC1
InChIInChI=1S/C11H23NOS/c1-8(2)9(3)14-7-11(12)10-4-5-13-6-10/h8-11H,4-7,12H2,1-3H3
InChIKeyDJLXUVYRUCYTQZ-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-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-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
1-(oxan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65131354
2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine
CID 65136008
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
1-(oxolan-3-yl)butan-1-amine
CID 63564938
2-(cyclopentylmethylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755775
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755803
1-(oxolan-3-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496950
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine (CID 107763469) is 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine is CC(C)C(C)SCC(N)C1CCOC1.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is DJLXUVYRUCYTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-8(2)9(3)14-7-11(12)10-4-5-13-6-10/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine?
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 217.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 107763469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).