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

C10H21NO2S2 — CID 105113089

IUPAC4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine
SMILESCC1(C(N)CCCS(C)(=O)=O)CCCS1
InChIInChI=1S/C10H21NO2S2/c1-10(6-4-7-14-10)9(11)5-3-8-15(2,12)13/h9H,3-8,11H2,1-2H3
InChIKeyREOORGSKAWXURK-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.42
Rot. Bonds5

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

4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine (PubChem CID 105113089) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine
PubChem CID105113089
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC Name4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine
SMILESCC1(C(N)CCCS(C)(=O)=O)CCCS1
InChIInChI=1S/C10H21NO2S2/c1-10(6-4-7-14-10)9(11)5-3-8-15(2,12)13/h9H,3-8,11H2,1-2H3
InChIKeyREOORGSKAWXURK-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The IUPAC name of 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine (CID 105113089) is 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine.
What is the SMILES notation for 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The canonical SMILES for 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine is CC1(C(N)CCCS(C)(=O)=O)CCCS1.
What is the InChIKey of 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine?
The InChIKey is REOORGSKAWXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-10(6-4-7-14-10)9(11)5-3-8-15(2,12)13/h9H,3-8,11H2,1-2H3.
What are the key properties of 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine?
4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(2-methylthiolan-2-yl)butan-1-amine is sourced from PubChem (CID 105113089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).