3-pyrrolidin-1-ylsulfonylpropan-1-amine

C7H16N2O2S — CID 13343451

IUPAC3-pyrrolidin-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H16N2O2S/c8-4-3-7-12(10,11)9-5-1-2-6-9/h1-8H2
InChIKeyOSDWCMNBYAUVMA-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.24
Rot. Bonds4

About 3-pyrrolidin-1-ylsulfonylpropan-1-amine

3-pyrrolidin-1-ylsulfonylpropan-1-amine (PubChem CID 13343451) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonylpropan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonylpropan-1-amine
PubChem CID13343451
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name3-pyrrolidin-1-ylsulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H16N2O2S/c8-4-3-7-12(10,11)9-5-1-2-6-9/h1-8H2
InChIKeyOSDWCMNBYAUVMA-UHFFFAOYSA-N
XLogP-0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-pyrrolidin-1-ylsulfonylpropan-1-amine?
The IUPAC name of 3-pyrrolidin-1-ylsulfonylpropan-1-amine (CID 13343451) is 3-pyrrolidin-1-ylsulfonylpropan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonylpropan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonylpropan-1-amine is NCCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonylpropan-1-amine?
The InChIKey is OSDWCMNBYAUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c8-4-3-7-12(10,11)9-5-1-2-6-9/h1-8H2.
What are the key properties of 3-pyrrolidin-1-ylsulfonylpropan-1-amine?
3-pyrrolidin-1-ylsulfonylpropan-1-amine has a molecular weight of 192.28 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylsulfonylpropan-1-amine is sourced from PubChem (CID 13343451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).