[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine

C8H18N2O2S — CID 28707013

IUPAC[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine
SMILESCCCS(=O)(=O)N1CCC[C@H]1CN
InChIInChI=1S/C8H18N2O2S/c1-2-6-13(11,12)10-5-3-4-8(10)7-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyUFBYMGXGUDTQEP-QMMMGPOBSA-N
MW206.31 g/mol
LogP0.15
Rot. Bonds4

About [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine

[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine (PubChem CID 28707013) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine
PubChem CID28707013
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine
SMILESCCCS(=O)(=O)N1CCC[C@H]1CN
InChIInChI=1S/C8H18N2O2S/c1-2-6-13(11,12)10-5-3-4-8(10)7-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyUFBYMGXGUDTQEP-QMMMGPOBSA-N
XLogP0.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine (CID 28707013) is [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine is CCCS(=O)(=O)N1CCC[C@H]1CN.
What is the InChIKey of [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is UFBYMGXGUDTQEP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-2-6-13(11,12)10-5-3-4-8(10)7-9/h8H,2-7,9H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine?
[(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 206.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-propylsulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 28707013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).