3-methylsulfinylpropan-1-amine

C4H11NOS — CID 21259994

IUPAC3-methylsulfinylpropan-1-amine
SMILESCS(=O)CCCN
InChIInChI=1S/C4H11NOS/c1-7(6)4-2-3-5/h2-5H2,1H3
InChIKeyCOPMQUUNXNNQJO-UHFFFAOYSA-N
MW121.20 g/mol
LogP-0.29
Rot. Bonds3

About 3-methylsulfinylpropan-1-amine

3-methylsulfinylpropan-1-amine (PubChem CID 21259994) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is 3-methylsulfinylpropan-1-amine.

Molecular Properties

Compound Name3-methylsulfinylpropan-1-amine
PubChem CID21259994
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name3-methylsulfinylpropan-1-amine
SMILESCS(=O)CCCN
InChIInChI=1S/C4H11NOS/c1-7(6)4-2-3-5/h2-5H2,1H3
InChIKeyCOPMQUUNXNNQJO-UHFFFAOYSA-N
XLogP-0.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinylpropan-1-amine?
The IUPAC name of 3-methylsulfinylpropan-1-amine (CID 21259994) is 3-methylsulfinylpropan-1-amine.
What is the SMILES notation for 3-methylsulfinylpropan-1-amine?
The canonical SMILES for 3-methylsulfinylpropan-1-amine is CS(=O)CCCN.
What is the InChIKey of 3-methylsulfinylpropan-1-amine?
The InChIKey is COPMQUUNXNNQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-7(6)4-2-3-5/h2-5H2,1H3.
What are the key properties of 3-methylsulfinylpropan-1-amine?
3-methylsulfinylpropan-1-amine has a molecular weight of 121.20 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinylpropan-1-amine is sourced from PubChem (CID 21259994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).