1-propan-2-ylsulfonylethanamine

C5H13NO2S — CID 22017685

IUPAC1-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)C(C)N
InChIInChI=1S/C5H13NO2S/c1-4(2)9(7,8)5(3)6/h4-5H,6H2,1-3H3
InChIKeyYICKEOQBTHMRAA-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.11
Rot. Bonds2

About 1-propan-2-ylsulfonylethanamine

1-propan-2-ylsulfonylethanamine (PubChem CID 22017685) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylethanamine.

Molecular Properties

Compound Name1-propan-2-ylsulfonylethanamine
PubChem CID22017685
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name1-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)C(C)N
InChIInChI=1S/C5H13NO2S/c1-4(2)9(7,8)5(3)6/h4-5H,6H2,1-3H3
InChIKeyYICKEOQBTHMRAA-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylethanamine?
The IUPAC name of 1-propan-2-ylsulfonylethanamine (CID 22017685) is 1-propan-2-ylsulfonylethanamine.
What is the SMILES notation for 1-propan-2-ylsulfonylethanamine?
The canonical SMILES for 1-propan-2-ylsulfonylethanamine is CC(C)S(=O)(=O)C(C)N.
What is the InChIKey of 1-propan-2-ylsulfonylethanamine?
The InChIKey is YICKEOQBTHMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-4(2)9(7,8)5(3)6/h4-5H,6H2,1-3H3.
What are the key properties of 1-propan-2-ylsulfonylethanamine?
1-propan-2-ylsulfonylethanamine has a molecular weight of 151.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylethanamine is sourced from PubChem (CID 22017685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).