1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine

C9H21NO3S2 — CID 106735786

IUPAC1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S2/c1-4-9(10)7-14(11)5-6-15(12,13)8(2)3/h8-9H,4-7,10H2,1-3H3
InChIKeyDLFFMJVFYCSGEZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP0.30
Rot. Bonds7

About 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine

1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine (PubChem CID 106735786) has the molecular formula C9H21NO3S2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine
PubChem CID106735786
Molecular FormulaC9H21NO3S2
Molecular Weight255.40 g/mol
Exact Mass255.10
IUPAC Name1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine
SMILESCCC(N)CS(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S2/c1-4-9(10)7-14(11)5-6-15(12,13)8(2)3/h8-9H,4-7,10H2,1-3H3
InChIKeyDLFFMJVFYCSGEZ-UHFFFAOYSA-N
XLogP0.30
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylbutoxy)ethylsulfinyl]butan-2-amine
CID 81189513
2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724497
1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
1-(2-pyrrolidin-1-ylethylsulfinyl)butan-2-amine
CID 107914467
1-(3-pyrrolidin-1-ylpropylsulfinyl)butan-2-amine
CID 81189963
4-(2-aminobutylsulfinyl)-N-methylbutanamide
CID 81189749
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
1-[2-(2,2,2-trifluoroethoxy)ethylsulfinyl]butan-2-amine
CID 81188472
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
8-propan-2-ylsulfonyloctan-4-amine
CID 106732205
1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
CID 107760473
N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107759940

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine?
The IUPAC name of 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine (CID 106735786) is 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine.
What is the SMILES notation for 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine?
The canonical SMILES for 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine is CCC(N)CS(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine?
The InChIKey is DLFFMJVFYCSGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S2/c1-4-9(10)7-14(11)5-6-15(12,13)8(2)3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine?
1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine has a molecular weight of 255.40 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfonylethylsulfinyl)butan-2-amine is sourced from PubChem (CID 106735786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).