2-propan-2-ylsulfonylethanamine

C5H13NO2S — CID 22017749

IUPAC2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCN
InChIInChI=1S/C5H13NO2S/c1-5(2)9(7,8)4-3-6/h5H,3-4,6H2,1-2H3
InChIKeyFPMDQMBQVDRLPN-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.23
Rot. Bonds3

About 2-propan-2-ylsulfonylethanamine

2-propan-2-ylsulfonylethanamine (PubChem CID 22017749) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-propan-2-ylsulfonylethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfonylethanamine
PubChem CID22017749
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCN
InChIInChI=1S/C5H13NO2S/c1-5(2)9(7,8)4-3-6/h5H,3-4,6H2,1-2H3
InChIKeyFPMDQMBQVDRLPN-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonylethanamine?
The IUPAC name of 2-propan-2-ylsulfonylethanamine (CID 22017749) is 2-propan-2-ylsulfonylethanamine.
What is the SMILES notation for 2-propan-2-ylsulfonylethanamine?
The canonical SMILES for 2-propan-2-ylsulfonylethanamine is CC(C)S(=O)(=O)CCN.
What is the InChIKey of 2-propan-2-ylsulfonylethanamine?
The InChIKey is FPMDQMBQVDRLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(2)9(7,8)4-3-6/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfonylethanamine?
2-propan-2-ylsulfonylethanamine has a molecular weight of 151.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonylethanamine is sourced from PubChem (CID 22017749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).