3-[(R)-propylsulfinyl]propan-1-amine

C6H15NOS — CID 88509307

IUPAC3-[(R)-propylsulfinyl]propan-1-amine
SMILESCCC[S@@](=O)CCCN
InChIInChI=1S/C6H15NOS/c1-2-5-9(8)6-3-4-7/h2-7H2,1H3/t9-/m1/s1
InChIKeyRJYAVJQLHICYEN-SECBINFHSA-N
MW149.26 g/mol
LogP0.49
Rot. Bonds5

About 3-[(R)-propylsulfinyl]propan-1-amine

3-[(R)-propylsulfinyl]propan-1-amine (PubChem CID 88509307) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 3-[(R)-propylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name3-[(R)-propylsulfinyl]propan-1-amine
PubChem CID88509307
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name3-[(R)-propylsulfinyl]propan-1-amine
SMILESCCC[S@@](=O)CCCN
InChIInChI=1S/C6H15NOS/c1-2-5-9(8)6-3-4-7/h2-7H2,1H3/t9-/m1/s1
InChIKeyRJYAVJQLHICYEN-SECBINFHSA-N
XLogP0.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(R)-propylsulfinyl]propan-1-amine?
The IUPAC name of 3-[(R)-propylsulfinyl]propan-1-amine (CID 88509307) is 3-[(R)-propylsulfinyl]propan-1-amine.
What is the SMILES notation for 3-[(R)-propylsulfinyl]propan-1-amine?
The canonical SMILES for 3-[(R)-propylsulfinyl]propan-1-amine is CCC[S@@](=O)CCCN.
What is the InChIKey of 3-[(R)-propylsulfinyl]propan-1-amine?
The InChIKey is RJYAVJQLHICYEN-SECBINFHSA-N. The full InChI is InChI=1S/C6H15NOS/c1-2-5-9(8)6-3-4-7/h2-7H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(R)-propylsulfinyl]propan-1-amine?
3-[(R)-propylsulfinyl]propan-1-amine has a molecular weight of 149.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-propylsulfinyl]propan-1-amine is sourced from PubChem (CID 88509307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).