3-propan-2-ylsulfonylpropan-1-amine

C6H15NO2S — CID 39236043

IUPAC3-propan-2-ylsulfonylpropan-1-amine
SMILESCC(C)S(=O)(=O)CCCN
InChIInChI=1S/C6H15NO2S/c1-6(2)10(8,9)5-3-4-7/h6H,3-5,7H2,1-2H3
InChIKeyVTLRPMOUQRUFKL-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.16
Rot. Bonds4

About 3-propan-2-ylsulfonylpropan-1-amine

3-propan-2-ylsulfonylpropan-1-amine (PubChem CID 39236043) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-propan-2-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-propan-2-ylsulfonylpropan-1-amine
PubChem CID39236043
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3-propan-2-ylsulfonylpropan-1-amine
SMILESCC(C)S(=O)(=O)CCCN
InChIInChI=1S/C6H15NO2S/c1-6(2)10(8,9)5-3-4-7/h6H,3-5,7H2,1-2H3
InChIKeyVTLRPMOUQRUFKL-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfonylpropan-1-amine?
The IUPAC name of 3-propan-2-ylsulfonylpropan-1-amine (CID 39236043) is 3-propan-2-ylsulfonylpropan-1-amine.
What is the SMILES notation for 3-propan-2-ylsulfonylpropan-1-amine?
The canonical SMILES for 3-propan-2-ylsulfonylpropan-1-amine is CC(C)S(=O)(=O)CCCN.
What is the InChIKey of 3-propan-2-ylsulfonylpropan-1-amine?
The InChIKey is VTLRPMOUQRUFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2)10(8,9)5-3-4-7/h6H,3-5,7H2,1-2H3.
What are the key properties of 3-propan-2-ylsulfonylpropan-1-amine?
3-propan-2-ylsulfonylpropan-1-amine has a molecular weight of 165.26 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfonylpropan-1-amine is sourced from PubChem (CID 39236043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).