(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine

C9H19N3O3S — CID 61338565

IUPAC(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine
SMILESNCC1CN(S(=O)(=O)N2CCCC2)CCO1
InChIInChI=1S/C9H19N3O3S/c10-7-9-8-12(5-6-15-9)16(13,14)11-3-1-2-4-11/h9H,1-8,10H2
InChIKeyRXNCKGVKTNUXDS-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.01
Rot. Bonds3

About (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine

(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine (PubChem CID 61338565) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine
PubChem CID61338565
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine
SMILESNCC1CN(S(=O)(=O)N2CCCC2)CCO1
InChIInChI=1S/C9H19N3O3S/c10-7-9-8-12(5-6-15-9)16(13,14)11-3-1-2-4-11/h9H,1-8,10H2
InChIKeyRXNCKGVKTNUXDS-UHFFFAOYSA-N
XLogP-1.01
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine?
The IUPAC name of (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine (CID 61338565) is (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine.
What is the SMILES notation for (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine?
The canonical SMILES for (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine is NCC1CN(S(=O)(=O)N2CCCC2)CCO1.
What is the InChIKey of (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine?
The InChIKey is RXNCKGVKTNUXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c10-7-9-8-12(5-6-15-9)16(13,14)11-3-1-2-4-11/h9H,1-8,10H2.
What are the key properties of (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine?
(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine has a molecular weight of 249.34 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)methanamine is sourced from PubChem (CID 61338565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).