4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine

C11H23NO2S2 — CID 105152578

IUPAC4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(N)C1(C)CCCS1
InChIInChI=1S/C11H23NO2S2/c1-3-16(13,14)9-4-6-10(12)11(2)7-5-8-15-11/h10H,3-9,12H2,1-2H3
InChIKeyQGHHGYWZIHWZGJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.81
Rot. Bonds6

About 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine

4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine (PubChem CID 105152578) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine
PubChem CID105152578
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC Name4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(N)C1(C)CCCS1
InChIInChI=1S/C11H23NO2S2/c1-3-16(13,14)9-4-6-10(12)11(2)7-5-8-15-11/h10H,3-9,12H2,1-2H3
InChIKeyQGHHGYWZIHWZGJ-UHFFFAOYSA-N
XLogP1.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine (CID 105152578) is 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine is CCS(=O)(=O)CCCC(N)C1(C)CCCS1.
What is the InChIKey of 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The InChIKey is QGHHGYWZIHWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-3-16(13,14)9-4-6-10(12)11(2)7-5-8-15-11/h10H,3-9,12H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine?
4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine is sourced from PubChem (CID 105152578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).