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

C8H17NOS — CID 79333107

IUPACN-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine
SMILESCCC(CSC1COC1)NC
InChIInChI=1S/C8H17NOS/c1-3-7(9-2)6-11-8-4-10-5-8/h7-9H,3-6H2,1-2H3
InChIKeyGEJMUNOEVISKAI-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds5

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

N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine (PubChem CID 79333107) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine
PubChem CID79333107
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine
SMILESCCC(CSC1COC1)NC
InChIInChI=1S/C8H17NOS/c1-3-7(9-2)6-11-8-4-10-5-8/h7-9H,3-6H2,1-2H3
InChIKeyGEJMUNOEVISKAI-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine?
The IUPAC name of N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine (CID 79333107) is N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine?
The canonical SMILES for N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine is CCC(CSC1COC1)NC.
What is the InChIKey of N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine?
The InChIKey is GEJMUNOEVISKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-7(9-2)6-11-8-4-10-5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine?
N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine has a molecular weight of 175.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxetan-3-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 79333107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).