3-benzylsulfonylpropan-1-amine

C10H15NO2S — CID 24703399

IUPAC3-benzylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H15NO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,11H2
InChIKeySWVQQXJXLQSITA-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.95
Rot. Bonds5

About 3-benzylsulfonylpropan-1-amine

3-benzylsulfonylpropan-1-amine (PubChem CID 24703399) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-benzylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-benzylsulfonylpropan-1-amine
PubChem CID24703399
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-benzylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C10H15NO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,11H2
InChIKeySWVQQXJXLQSITA-UHFFFAOYSA-N
XLogP0.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonylpropan-1-amine?
The IUPAC name of 3-benzylsulfonylpropan-1-amine (CID 24703399) is 3-benzylsulfonylpropan-1-amine.
What is the SMILES notation for 3-benzylsulfonylpropan-1-amine?
The canonical SMILES for 3-benzylsulfonylpropan-1-amine is NCCCS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 3-benzylsulfonylpropan-1-amine?
The InChIKey is SWVQQXJXLQSITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,11H2.
What are the key properties of 3-benzylsulfonylpropan-1-amine?
3-benzylsulfonylpropan-1-amine has a molecular weight of 213.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonylpropan-1-amine is sourced from PubChem (CID 24703399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).