(3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine

C7H16N2O2S — CID 69359172

IUPAC(3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine
SMILESCC(C)S(=O)(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C7H16N2O2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5,8H2,1-2H3/t7-/m1/s1
InChIKeyCRAFJCZENVEIIM-SSDOTTSWSA-N
MW192.28 g/mol
LogP-0.24
Rot. Bonds2

About (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine

(3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine (PubChem CID 69359172) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine
PubChem CID69359172
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine
SMILESCC(C)S(=O)(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C7H16N2O2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5,8H2,1-2H3/t7-/m1/s1
InChIKeyCRAFJCZENVEIIM-SSDOTTSWSA-N
XLogP-0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine (CID 69359172) is (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine is CC(C)S(=O)(=O)N1CC[C@@H](N)C1.
What is the InChIKey of (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine?
The InChIKey is CRAFJCZENVEIIM-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6(2)12(10,11)9-4-3-7(8)5-9/h6-7H,3-5,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine?
(3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine has a molecular weight of 192.28 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propan-2-ylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 69359172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).