3-methylsulfinylbutan-1-amine

C5H13NOS — CID 58685055

IUPAC3-methylsulfinylbutan-1-amine
SMILESCC(CCN)S(C)=O
InChIInChI=1S/C5H13NOS/c1-5(3-4-6)8(2)7/h5H,3-4,6H2,1-2H3
InChIKeyZFDQZKLMDYFXPU-UHFFFAOYSA-N
MW135.23 g/mol
LogP0.10
Rot. Bonds3

About 3-methylsulfinylbutan-1-amine

3-methylsulfinylbutan-1-amine (PubChem CID 58685055) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is 3-methylsulfinylbutan-1-amine.

Molecular Properties

Compound Name3-methylsulfinylbutan-1-amine
PubChem CID58685055
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC Name3-methylsulfinylbutan-1-amine
SMILESCC(CCN)S(C)=O
InChIInChI=1S/C5H13NOS/c1-5(3-4-6)8(2)7/h5H,3-4,6H2,1-2H3
InChIKeyZFDQZKLMDYFXPU-UHFFFAOYSA-N
XLogP0.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylbutan-1-amine?
The IUPAC name of 3-methylsulfinylbutan-1-amine (CID 58685055) is 3-methylsulfinylbutan-1-amine.
What is the SMILES notation for 3-methylsulfinylbutan-1-amine?
The canonical SMILES for 3-methylsulfinylbutan-1-amine is CC(CCN)S(C)=O.
What is the InChIKey of 3-methylsulfinylbutan-1-amine?
The InChIKey is ZFDQZKLMDYFXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-5(3-4-6)8(2)7/h5H,3-4,6H2,1-2H3.
What are the key properties of 3-methylsulfinylbutan-1-amine?
3-methylsulfinylbutan-1-amine has a molecular weight of 135.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylbutan-1-amine is sourced from PubChem (CID 58685055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).