2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine

C8H19NO3S2 — CID 81186331

IUPAC2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine
SMILESCCS(=O)(=O)CCCS(=O)C(C)CN
InChIInChI=1S/C8H19NO3S2/c1-3-14(11,12)6-4-5-13(10)8(2)7-9/h8H,3-7,9H2,1-2H3
InChIKeyLJWZSIUCQJLYEO-UHFFFAOYSA-N
MW241.38 g/mol
LogP-0.09
Rot. Bonds7

About 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine

2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine (PubChem CID 81186331) has the molecular formula C8H19NO3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine
PubChem CID81186331
Molecular FormulaC8H19NO3S2
Molecular Weight241.38 g/mol
Exact Mass241.08
IUPAC Name2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine
SMILESCCS(=O)(=O)CCCS(=O)C(C)CN
InChIInChI=1S/C8H19NO3S2/c1-3-14(11,12)6-4-5-13(10)8(2)7-9/h8H,3-7,9H2,1-2H3
InChIKeyLJWZSIUCQJLYEO-UHFFFAOYSA-N
XLogP-0.09
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pentylsulfinylpropan-1-amine
CID 81186667
2-heptylsulfinylpropan-1-amine
CID 81186656
2-nonylsulfinylpropan-1-amine
CID 81187131
3-butan-2-ylsulfinylpropan-1-amine
CID 58684272
2-(3-ethylsulfonylpropylsulfinyl)butanoic acid
CID 105355506
2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine
CID 81187492
5-ethylsulfonylpentan-1-amine
CID 54172156
3-butylsulfonyl-2-methylpropan-1-amine
CID 64698847
1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
CID 81189453
1,6-bis(ethylsulfonyl)hexane
CID 54565943
1,8-bis(ethylsulfonyl)octane
CID 19033553
1,5-bis(ethylsulfonyl)pentane
CID 5250018

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine?
The IUPAC name of 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine (CID 81186331) is 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine.
What is the SMILES notation for 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine?
The canonical SMILES for 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine is CCS(=O)(=O)CCCS(=O)C(C)CN.
What is the InChIKey of 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine?
The InChIKey is LJWZSIUCQJLYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S2/c1-3-14(11,12)6-4-5-13(10)8(2)7-9/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine?
2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine has a molecular weight of 241.38 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine is sourced from PubChem (CID 81186331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).