4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine

C11H23NOS — CID 103031613

IUPAC4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCCS1
InChIInChI=1S/C11H23NOS/c1-11(2,13-3)7-6-9(12)10-5-4-8-14-10/h9-10H,4-8,12H2,1-3H3
InChIKeyJGTCZMTZHNNSAC-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.41
Rot. Bonds5

About 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine

4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine (PubChem CID 103031613) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine
PubChem CID103031613
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CCCS1
InChIInChI=1S/C11H23NOS/c1-11(2,13-3)7-6-9(12)10-5-4-8-14-10/h9-10H,4-8,12H2,1-3H3
InChIKeyJGTCZMTZHNNSAC-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine (CID 103031613) is 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine is COC(C)(C)CCC(N)C1CCCS1.
What is the InChIKey of 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine?
The InChIKey is JGTCZMTZHNNSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-11(2,13-3)7-6-9(12)10-5-4-8-14-10/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine?
4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(thiolan-2-yl)pentan-1-amine is sourced from PubChem (CID 103031613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).