1-(oxetan-3-ylsulfanyl)butan-2-amine

C7H15NOS — CID 79333006

IUPAC1-(oxetan-3-ylsulfanyl)butan-2-amine
SMILESCCC(N)CSC1COC1
InChIInChI=1S/C7H15NOS/c1-2-6(8)5-10-7-3-9-4-7/h6-7H,2-5,8H2,1H3
InChIKeyPXPCZIYXOZUXGP-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.86
Rot. Bonds4

About 1-(oxetan-3-ylsulfanyl)butan-2-amine

1-(oxetan-3-ylsulfanyl)butan-2-amine (PubChem CID 79333006) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 1-(oxetan-3-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(oxetan-3-ylsulfanyl)butan-2-amine
PubChem CID79333006
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name1-(oxetan-3-ylsulfanyl)butan-2-amine
SMILESCCC(N)CSC1COC1
InChIInChI=1S/C7H15NOS/c1-2-6(8)5-10-7-3-9-4-7/h6-7H,2-5,8H2,1H3
InChIKeyPXPCZIYXOZUXGP-UHFFFAOYSA-N
XLogP0.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-ylsulfanyl)butan-2-amine?
The IUPAC name of 1-(oxetan-3-ylsulfanyl)butan-2-amine (CID 79333006) is 1-(oxetan-3-ylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(oxetan-3-ylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(oxetan-3-ylsulfanyl)butan-2-amine is CCC(N)CSC1COC1.
What is the InChIKey of 1-(oxetan-3-ylsulfanyl)butan-2-amine?
The InChIKey is PXPCZIYXOZUXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-6(8)5-10-7-3-9-4-7/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-(oxetan-3-ylsulfanyl)butan-2-amine?
1-(oxetan-3-ylsulfanyl)butan-2-amine has a molecular weight of 161.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 79333006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).