1-propan-2-ylsulfonylazetidin-3-amine

C6H14N2O2S — CID 21090394

IUPAC1-propan-2-ylsulfonylazetidin-3-amine
SMILESCC(C)S(=O)(=O)N1CC(N)C1
InChIInChI=1S/C6H14N2O2S/c1-5(2)11(9,10)8-3-6(7)4-8/h5-6H,3-4,7H2,1-2H3
InChIKeyKCOYKSLHPJLYJY-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.63
Rot. Bonds2

About 1-propan-2-ylsulfonylazetidin-3-amine

1-propan-2-ylsulfonylazetidin-3-amine (PubChem CID 21090394) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylazetidin-3-amine.

Molecular Properties

Compound Name1-propan-2-ylsulfonylazetidin-3-amine
PubChem CID21090394
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name1-propan-2-ylsulfonylazetidin-3-amine
SMILESCC(C)S(=O)(=O)N1CC(N)C1
InChIInChI=1S/C6H14N2O2S/c1-5(2)11(9,10)8-3-6(7)4-8/h5-6H,3-4,7H2,1-2H3
InChIKeyKCOYKSLHPJLYJY-UHFFFAOYSA-N
XLogP-0.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylazetidin-3-amine?
The IUPAC name of 1-propan-2-ylsulfonylazetidin-3-amine (CID 21090394) is 1-propan-2-ylsulfonylazetidin-3-amine.
What is the SMILES notation for 1-propan-2-ylsulfonylazetidin-3-amine?
The canonical SMILES for 1-propan-2-ylsulfonylazetidin-3-amine is CC(C)S(=O)(=O)N1CC(N)C1.
What is the InChIKey of 1-propan-2-ylsulfonylazetidin-3-amine?
The InChIKey is KCOYKSLHPJLYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-5(2)11(9,10)8-3-6(7)4-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylazetidin-3-amine?
1-propan-2-ylsulfonylazetidin-3-amine has a molecular weight of 178.26 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylazetidin-3-amine is sourced from PubChem (CID 21090394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).