1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine

C8H18N2O4S2 — CID 82843500

IUPAC1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(S(=O)(=O)CS(C)(=O)=O)C1
InChIInChI=1S/C8H18N2O4S2/c1-3-4-8(9)5-10(6-8)16(13,14)7-15(2,11)12/h3-7,9H2,1-2H3
InChIKeyXPBXEJZWNRQHFI-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.87
Rot. Bonds5

About 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine

1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine (PubChem CID 82843500) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine.

Molecular Properties

Compound Name1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine
PubChem CID82843500
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC Name1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(S(=O)(=O)CS(C)(=O)=O)C1
InChIInChI=1S/C8H18N2O4S2/c1-3-4-8(9)5-10(6-8)16(13,14)7-15(2,11)12/h3-7,9H2,1-2H3
InChIKeyXPBXEJZWNRQHFI-UHFFFAOYSA-N
XLogP-0.87
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine?
The IUPAC name of 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine (CID 82843500) is 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine.
What is the SMILES notation for 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine?
The canonical SMILES for 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine is CCCC1(N)CN(S(=O)(=O)CS(C)(=O)=O)C1.
What is the InChIKey of 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine?
The InChIKey is XPBXEJZWNRQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-3-4-8(9)5-10(6-8)16(13,14)7-15(2,11)12/h3-7,9H2,1-2H3.
What are the key properties of 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine?
1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine has a molecular weight of 270.38 g/mol, XLogP of -0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine is sourced from PubChem (CID 82843500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).