3-propylsulfinylpropan-1-amine

C6H15NOS — CID 58684721

IUPAC3-propylsulfinylpropan-1-amine
SMILESCCCS(=O)CCCN
InChIInChI=1S/C6H15NOS/c1-2-5-9(8)6-3-4-7/h2-7H2,1H3
InChIKeyRJYAVJQLHICYEN-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.49
Rot. Bonds5

About 3-propylsulfinylpropan-1-amine

3-propylsulfinylpropan-1-amine (PubChem CID 58684721) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 3-propylsulfinylpropan-1-amine.

Molecular Properties

Compound Name3-propylsulfinylpropan-1-amine
PubChem CID58684721
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name3-propylsulfinylpropan-1-amine
SMILESCCCS(=O)CCCN
InChIInChI=1S/C6H15NOS/c1-2-5-9(8)6-3-4-7/h2-7H2,1H3
InChIKeyRJYAVJQLHICYEN-UHFFFAOYSA-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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Related Compounds

3-[(R)-propylsulfinyl]propan-1-amine
CID 88509307
1-propylsulfinylbutane
CID 564183
platinum(2+);bis(1-propylsulfinylpropane);dichloride
CID 3082519
3-(3,3-dimethylbutylsulfinyl)propan-1-amine
CID 81187092
1-heptadecylsulfinylheptadecane
CID 54059826
6-propylsulfinylhexan-2-one
CID 64640281
4-(3-methylbutylsulfinyl)butan-1-amine
CID 107767471
1-(2-fluoroethylsulfinyl)pentane
CID 56992126
1-azido-3-propylsulfinylpropane
CID 61396915
3-(2,2,2-trifluoroethylsulfinyl)propan-1-amine
CID 58684156
4-butylsulfinyl-2,2-dimethylbutan-1-amine
CID 81329579
3-butan-2-ylsulfinylpropan-1-amine
CID 58684272

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfinylpropan-1-amine?
The IUPAC name of 3-propylsulfinylpropan-1-amine (CID 58684721) is 3-propylsulfinylpropan-1-amine.
What is the SMILES notation for 3-propylsulfinylpropan-1-amine?
The canonical SMILES for 3-propylsulfinylpropan-1-amine is CCCS(=O)CCCN.
What is the InChIKey of 3-propylsulfinylpropan-1-amine?
The InChIKey is RJYAVJQLHICYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-2-5-9(8)6-3-4-7/h2-7H2,1H3.
What are the key properties of 3-propylsulfinylpropan-1-amine?
3-propylsulfinylpropan-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-propylsulfinylpropan-1-amine is sourced from PubChem (CID 58684721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).