(3S)-3-propylsulfinylpentan-1-amine

C8H19NOS — CID 54574017

IUPAC(3S)-3-propylsulfinylpentan-1-amine
SMILESCCCS(=O)[C@@H](CC)CCN
InChIInChI=1S/C8H19NOS/c1-3-7-11(10)8(4-2)5-6-9/h8H,3-7,9H2,1-2H3/t8-,11?/m0/s1
InChIKeyZZHKIEHNNWJPJA-YMNIQAILSA-N
MW177.31 g/mol
LogP1.27
Rot. Bonds6

About (3S)-3-propylsulfinylpentan-1-amine

(3S)-3-propylsulfinylpentan-1-amine (PubChem CID 54574017) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is (3S)-3-propylsulfinylpentan-1-amine.

Molecular Properties

Compound Name(3S)-3-propylsulfinylpentan-1-amine
PubChem CID54574017
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name(3S)-3-propylsulfinylpentan-1-amine
SMILESCCCS(=O)[C@@H](CC)CCN
InChIInChI=1S/C8H19NOS/c1-3-7-11(10)8(4-2)5-6-9/h8H,3-7,9H2,1-2H3/t8-,11?/m0/s1
InChIKeyZZHKIEHNNWJPJA-YMNIQAILSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-propylsulfinylpentan-1-amine?
The IUPAC name of (3S)-3-propylsulfinylpentan-1-amine (CID 54574017) is (3S)-3-propylsulfinylpentan-1-amine.
What is the SMILES notation for (3S)-3-propylsulfinylpentan-1-amine?
The canonical SMILES for (3S)-3-propylsulfinylpentan-1-amine is CCCS(=O)[C@@H](CC)CCN.
What is the InChIKey of (3S)-3-propylsulfinylpentan-1-amine?
The InChIKey is ZZHKIEHNNWJPJA-YMNIQAILSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-7-11(10)8(4-2)5-6-9/h8H,3-7,9H2,1-2H3/t8-,11?/m0/s1.
What are the key properties of (3S)-3-propylsulfinylpentan-1-amine?
(3S)-3-propylsulfinylpentan-1-amine has a molecular weight of 177.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propylsulfinylpentan-1-amine is sourced from PubChem (CID 54574017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).