1-morpholin-4-ylsulfonylpyrrolidin-2-amine

C8H17N3O3S — CID 43210459

IUPAC1-morpholin-4-ylsulfonylpyrrolidin-2-amine
SMILESNC1CCCN1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17N3O3S/c9-8-2-1-3-11(8)15(12,13)10-4-6-14-7-5-10/h8H,1-7,9H2
InChIKeyHGLQFMHTRWLYCK-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.06
Rot. Bonds2

About 1-morpholin-4-ylsulfonylpyrrolidin-2-amine

1-morpholin-4-ylsulfonylpyrrolidin-2-amine (PubChem CID 43210459) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-morpholin-4-ylsulfonylpyrrolidin-2-amine.

Molecular Properties

Compound Name1-morpholin-4-ylsulfonylpyrrolidin-2-amine
PubChem CID43210459
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name1-morpholin-4-ylsulfonylpyrrolidin-2-amine
SMILESNC1CCCN1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H17N3O3S/c9-8-2-1-3-11(8)15(12,13)10-4-6-14-7-5-10/h8H,1-7,9H2
InChIKeyHGLQFMHTRWLYCK-UHFFFAOYSA-N
XLogP-1.06
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylsulfonylpyrrolidin-2-amine?
The IUPAC name of 1-morpholin-4-ylsulfonylpyrrolidin-2-amine (CID 43210459) is 1-morpholin-4-ylsulfonylpyrrolidin-2-amine.
What is the SMILES notation for 1-morpholin-4-ylsulfonylpyrrolidin-2-amine?
The canonical SMILES for 1-morpholin-4-ylsulfonylpyrrolidin-2-amine is NC1CCCN1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylsulfonylpyrrolidin-2-amine?
The InChIKey is HGLQFMHTRWLYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c9-8-2-1-3-11(8)15(12,13)10-4-6-14-7-5-10/h8H,1-7,9H2.
What are the key properties of 1-morpholin-4-ylsulfonylpyrrolidin-2-amine?
1-morpholin-4-ylsulfonylpyrrolidin-2-amine has a molecular weight of 235.31 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylsulfonylpyrrolidin-2-amine is sourced from PubChem (CID 43210459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).