2-propan-2-ylsulfinylethanamine

C5H13NOS — CID 58326741

IUPAC2-propan-2-ylsulfinylethanamine
SMILESCC(C)S(=O)CCN
InChIInChI=1S/C5H13NOS/c1-5(2)8(7)4-3-6/h5H,3-4,6H2,1-2H3
InChIKeyYKMXTQZGIGGMGT-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.10
Rot. Bonds3

About 2-propan-2-ylsulfinylethanamine

2-propan-2-ylsulfinylethanamine (PubChem CID 58326741) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 2-propan-2-ylsulfinylethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfinylethanamine
PubChem CID58326741
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name2-propan-2-ylsulfinylethanamine
SMILESCC(C)S(=O)CCN
InChIInChI=1S/C5H13NOS/c1-5(2)8(7)4-3-6/h5H,3-4,6H2,1-2H3
InChIKeyYKMXTQZGIGGMGT-UHFFFAOYSA-N
XLogP0.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinylethanamine?
The IUPAC name of 2-propan-2-ylsulfinylethanamine (CID 58326741) is 2-propan-2-ylsulfinylethanamine.
What is the SMILES notation for 2-propan-2-ylsulfinylethanamine?
The canonical SMILES for 2-propan-2-ylsulfinylethanamine is CC(C)S(=O)CCN.
What is the InChIKey of 2-propan-2-ylsulfinylethanamine?
The InChIKey is YKMXTQZGIGGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(2)8(7)4-3-6/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfinylethanamine?
2-propan-2-ylsulfinylethanamine has a molecular weight of 135.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinylethanamine is sourced from PubChem (CID 58326741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).