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

C8H19NO4S2 — CID 81189453

IUPAC1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
SMILESCCS(=O)(=O)CCCS(=O)(=O)CC(C)N
InChIInChI=1S/C8H19NO4S2/c1-3-14(10,11)5-4-6-15(12,13)7-8(2)9/h8H,3-7,9H2,1-2H3
InChIKeyBBSXLZQCZYIUTI-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.43
Rot. Bonds7

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

1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine (PubChem CID 81189453) has the molecular formula C8H19NO4S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
PubChem CID81189453
Molecular FormulaC8H19NO4S2
Molecular Weight257.38 g/mol
Exact Mass257.08
IUPAC Name1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine
SMILESCCS(=O)(=O)CCCS(=O)(=O)CC(C)N
InChIInChI=1S/C8H19NO4S2/c1-3-14(10,11)5-4-6-15(12,13)7-8(2)9/h8H,3-7,9H2,1-2H3
InChIKeyBBSXLZQCZYIUTI-UHFFFAOYSA-N
XLogP-0.43
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine?
The IUPAC name of 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine (CID 81189453) is 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine.
What is the SMILES notation for 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine?
The canonical SMILES for 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine is CCS(=O)(=O)CCCS(=O)(=O)CC(C)N.
What is the InChIKey of 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine?
The InChIKey is BBSXLZQCZYIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S2/c1-3-14(10,11)5-4-6-15(12,13)7-8(2)9/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine?
1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of -0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropylsulfonyl)propan-2-amine is sourced from PubChem (CID 81189453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).