2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine

C10H21NOS — CID 115023208

IUPAC2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine
SMILESCC(C)(C)OC1(CCN)CCSC1
InChIInChI=1S/C10H21NOS/c1-9(2,3)12-10(4-6-11)5-7-13-8-10/h4-8,11H2,1-3H3
InChIKeyNZYCDXNWPOVIHF-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.03
Rot. Bonds3

About 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine

2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine (PubChem CID 115023208) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine
PubChem CID115023208
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine
SMILESCC(C)(C)OC1(CCN)CCSC1
InChIInChI=1S/C10H21NOS/c1-9(2,3)12-10(4-6-11)5-7-13-8-10/h4-8,11H2,1-3H3
InChIKeyNZYCDXNWPOVIHF-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine (CID 115023208) is 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine is CC(C)(C)OC1(CCN)CCSC1.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine?
The InChIKey is NZYCDXNWPOVIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2,3)12-10(4-6-11)5-7-13-8-10/h4-8,11H2,1-3H3.
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine?
2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine has a molecular weight of 203.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpropan-2-yl)oxy]thiolan-3-yl]ethanamine is sourced from PubChem (CID 115023208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).