3-propylsulfonylpropan-1-amine

C6H15NO2S — CID 20792595

IUPAC3-propylsulfonylpropan-1-amine
SMILESCCCS(=O)(=O)CCCN
InChIInChI=1S/C6H15NO2S/c1-2-5-10(8,9)6-3-4-7/h2-7H2,1H3
InChIKeyUURTYHSGPVWNHZ-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.16
Rot. Bonds5

About 3-propylsulfonylpropan-1-amine

3-propylsulfonylpropan-1-amine (PubChem CID 20792595) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-propylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-propylsulfonylpropan-1-amine
PubChem CID20792595
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3-propylsulfonylpropan-1-amine
SMILESCCCS(=O)(=O)CCCN
InChIInChI=1S/C6H15NO2S/c1-2-5-10(8,9)6-3-4-7/h2-7H2,1H3
InChIKeyUURTYHSGPVWNHZ-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophenamine, tetrahydro-, 1,1-dioxide
CID 22807
4-Methanesulfonylbutan-2-amine
CID 23562465
2-(Methylsulfonyl)ethanamine
CID 4340561
3-(Methylsulfonyl)propan-1-amine
CID 21949286
Methylsulfonylbutylamine
CID 191144
2-Methanesulfonylpropan-1-amine
CID 54446112
3-(3-Aminopropylsulfonyl)propan-1-amine;dihydrochloride
CID 14585889
Ethanamine, 2-(methylsulfonyl)-, hydrochloride (1:1)
CID 17749886
3-[(S)-methylsulfinyl]propan-1-amine
CID 51534039
4-Methanesulfinylbutan-1-amine
CID 12981639
2-(Ethanesulfonyl)ethan-1-amine
CID 21217861
3-Methanesulfonylpropan-1-amine hydrochloride
CID 21949285

Frequently Asked Questions

What is the IUPAC name of 3-propylsulfonylpropan-1-amine?
The IUPAC name of 3-propylsulfonylpropan-1-amine (CID 20792595) is 3-propylsulfonylpropan-1-amine.
What is the SMILES notation for 3-propylsulfonylpropan-1-amine?
The canonical SMILES for 3-propylsulfonylpropan-1-amine is CCCS(=O)(=O)CCCN.
What is the InChIKey of 3-propylsulfonylpropan-1-amine?
The InChIKey is UURTYHSGPVWNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-2-5-10(8,9)6-3-4-7/h2-7H2,1H3.
What are the key properties of 3-propylsulfonylpropan-1-amine?
3-propylsulfonylpropan-1-amine has a molecular weight of 165.26 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfonylpropan-1-amine is sourced from PubChem (CID 20792595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).