2-tert-butylsulfinylethanamine

C6H15NOS — CID 54592933

IUPAC2-tert-butylsulfinylethanamine
SMILESCC(C)(C)S(=O)CCN
InChIInChI=1S/C6H15NOS/c1-6(2,3)9(8)5-4-7/h4-5,7H2,1-3H3
InChIKeyXQUVDHRTWQXLMK-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.49
Rot. Bonds2

About 2-tert-butylsulfinylethanamine

2-tert-butylsulfinylethanamine (PubChem CID 54592933) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 2-tert-butylsulfinylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfinylethanamine
PubChem CID54592933
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name2-tert-butylsulfinylethanamine
SMILESCC(C)(C)S(=O)CCN
InChIInChI=1S/C6H15NOS/c1-6(2,3)9(8)5-4-7/h4-5,7H2,1-3H3
InChIKeyXQUVDHRTWQXLMK-UHFFFAOYSA-N
XLogP0.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinylethanamine?
The IUPAC name of 2-tert-butylsulfinylethanamine (CID 54592933) is 2-tert-butylsulfinylethanamine.
What is the SMILES notation for 2-tert-butylsulfinylethanamine?
The canonical SMILES for 2-tert-butylsulfinylethanamine is CC(C)(C)S(=O)CCN.
What is the InChIKey of 2-tert-butylsulfinylethanamine?
The InChIKey is XQUVDHRTWQXLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(2,3)9(8)5-4-7/h4-5,7H2,1-3H3.
What are the key properties of 2-tert-butylsulfinylethanamine?
2-tert-butylsulfinylethanamine has a molecular weight of 149.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinylethanamine is sourced from PubChem (CID 54592933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).