1-propylsulfinylpropan-1-amine

C6H15NOS — CID 19876679

IUPAC1-propylsulfinylpropan-1-amine
SMILESCCCS(=O)C(N)CC
InChIInChI=1S/C6H15NOS/c1-3-5-9(8)6(7)4-2/h6H,3-5,7H2,1-2H3
InChIKeyXTGIAMYQUJVMIH-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.84
Rot. Bonds4

About 1-propylsulfinylpropan-1-amine

1-propylsulfinylpropan-1-amine (PubChem CID 19876679) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is 1-propylsulfinylpropan-1-amine.

Molecular Properties

Compound Name1-propylsulfinylpropan-1-amine
PubChem CID19876679
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Name1-propylsulfinylpropan-1-amine
SMILESCCCS(=O)C(N)CC
InChIInChI=1S/C6H15NOS/c1-3-5-9(8)6(7)4-2/h6H,3-5,7H2,1-2H3
InChIKeyXTGIAMYQUJVMIH-UHFFFAOYSA-N
XLogP0.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-methylsulfinyl]propan-1-amine
CID 51534039
4-Methanesulfinylbutan-1-amine
CID 12981639
2-Methanesulfinylpropan-1-amine
CID 53806283
2-(2-Aminoethanesulfinyl)-2-methylpropane
CID 54592933
1-Methanesulfinylpropan-2-amine
CID 58684000
1-Butanamine, 3-(methylsulfinyl)-
CID 58685055
3-Methanesulfinylpropan-1-amine hydrochloride
CID 88921732
3-Methanesulfinylpropan-1-amine
CID 21259994
3-(Ethanesulfonyl)propan-1-amine
CID 21458690
Aminopropyl sulfoxide
CID 85529949
4-Methanesulfinylbutan-2-amine
CID 54595491
3-(3-Fluoropropylsulfinyl)propan-1-amine
CID 58684382

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfinylpropan-1-amine?
The IUPAC name of 1-propylsulfinylpropan-1-amine (CID 19876679) is 1-propylsulfinylpropan-1-amine.
What is the SMILES notation for 1-propylsulfinylpropan-1-amine?
The canonical SMILES for 1-propylsulfinylpropan-1-amine is CCCS(=O)C(N)CC.
What is the InChIKey of 1-propylsulfinylpropan-1-amine?
The InChIKey is XTGIAMYQUJVMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NOS/c1-3-5-9(8)6(7)4-2/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-propylsulfinylpropan-1-amine?
1-propylsulfinylpropan-1-amine has a molecular weight of 149.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfinylpropan-1-amine is sourced from PubChem (CID 19876679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).