1-propylsulfonylpyrrolidin-3-amine

C7H16N2O2S — CID 62067215

IUPAC1-propylsulfonylpyrrolidin-3-amine
SMILESCCCS(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C7H16N2O2S/c1-2-5-12(10,11)9-4-3-7(8)6-9/h7H,2-6,8H2,1H3
InChIKeyCLCMKWKNFKUZMV-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.24
Rot. Bonds3

About 1-propylsulfonylpyrrolidin-3-amine

1-propylsulfonylpyrrolidin-3-amine (PubChem CID 62067215) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-propylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-propylsulfonylpyrrolidin-3-amine
PubChem CID62067215
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-propylsulfonylpyrrolidin-3-amine
SMILESCCCS(=O)(=O)N1CCC(N)C1
InChIInChI=1S/C7H16N2O2S/c1-2-5-12(10,11)9-4-3-7(8)6-9/h7H,2-6,8H2,1H3
InChIKeyCLCMKWKNFKUZMV-UHFFFAOYSA-N
XLogP-0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylpyrrolidin-3-amine?
The IUPAC name of 1-propylsulfonylpyrrolidin-3-amine (CID 62067215) is 1-propylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-propylsulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-propylsulfonylpyrrolidin-3-amine is CCCS(=O)(=O)N1CCC(N)C1.
What is the InChIKey of 1-propylsulfonylpyrrolidin-3-amine?
The InChIKey is CLCMKWKNFKUZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-5-12(10,11)9-4-3-7(8)6-9/h7H,2-6,8H2,1H3.
What are the key properties of 1-propylsulfonylpyrrolidin-3-amine?
1-propylsulfonylpyrrolidin-3-amine has a molecular weight of 192.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 62067215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).