2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine

C11H23NOS — CID 65136008

IUPAC2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine
SMILESCCC(C)SCC(N)C1CCOCC1
InChIInChI=1S/C11H23NOS/c1-3-9(2)14-8-11(12)10-4-6-13-7-5-10/h9-11H,3-8,12H2,1-2H3
InChIKeyAZRBXYULPDWSOT-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.27
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine

2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine (PubChem CID 65136008) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine
PubChem CID65136008
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine
SMILESCCC(C)SCC(N)C1CCOCC1
InChIInChI=1S/C11H23NOS/c1-3-9(2)14-8-11(12)10-4-6-13-7-5-10/h9-11H,3-8,12H2,1-2H3
InChIKeyAZRBXYULPDWSOT-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-ylsulfanyl-1-(oxan-4-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-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65131354
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
N'-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116934979
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
2-butan-2-ylsulfanyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethylethanamine
CID 79910253
1-butan-2-ylsulfanyl-3-methylbutan-2-amine
CID 65136124
4-ethoxy-1-(oxan-4-yl)butan-1-amine
CID 105147258

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine (CID 65136008) is 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine is CCC(C)SCC(N)C1CCOCC1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine?
The InChIKey is AZRBXYULPDWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-9(2)14-8-11(12)10-4-6-13-7-5-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine?
2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine has a molecular weight of 217.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65136008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).