1-propan-2-ylsulfonylpyrrolidin-3-amine

C7H16N2O2S — CID 21090429

IUPAC1-propan-2-ylsulfonylpyrrolidin-3-amine
SMILESCC(C)S(=O)(=O)N1CCC(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
InChIKeyCRAFJCZENVEIIM-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.24
Rot. Bonds2

About 1-propan-2-ylsulfonylpyrrolidin-3-amine

1-propan-2-ylsulfonylpyrrolidin-3-amine (PubChem CID 21090429) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-propan-2-ylsulfonylpyrrolidin-3-amine
PubChem CID21090429
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-propan-2-ylsulfonylpyrrolidin-3-amine
SMILESCC(C)S(=O)(=O)N1CCC(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
InChIKeyCRAFJCZENVEIIM-UHFFFAOYSA-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 1-propan-2-ylsulfonylpyrrolidin-3-amine?
The IUPAC name of 1-propan-2-ylsulfonylpyrrolidin-3-amine (CID 21090429) is 1-propan-2-ylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-propan-2-ylsulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-propan-2-ylsulfonylpyrrolidin-3-amine is CC(C)S(=O)(=O)N1CCC(N)C1.
What is the InChIKey of 1-propan-2-ylsulfonylpyrrolidin-3-amine?
The InChIKey is CRAFJCZENVEIIM-UHFFFAOYSA-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.
What are the key properties of 1-propan-2-ylsulfonylpyrrolidin-3-amine?
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 1-propan-2-ylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 21090429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).