N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine

C10H21N3O3S — CID 63264058

IUPACN-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine
SMILESCNCC1CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C10H21N3O3S/c1-11-8-10-2-3-13(9-10)17(14,15)12-4-6-16-7-5-12/h10-11H,2-9H2,1H3
InChIKeyOCSNLIBPFCIMTK-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.90
Rot. Bonds4

About N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine

N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine (PubChem CID 63264058) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine
PubChem CID63264058
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine
SMILESCNCC1CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C10H21N3O3S/c1-11-8-10-2-3-13(9-10)17(14,15)12-4-6-16-7-5-12/h10-11H,2-9H2,1H3
InChIKeyOCSNLIBPFCIMTK-UHFFFAOYSA-N
XLogP-0.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine (CID 63264058) is N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine is CNCC1CCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine?
The InChIKey is OCSNLIBPFCIMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-11-8-10-2-3-13(9-10)17(14,15)12-4-6-16-7-5-12/h10-11H,2-9H2,1H3.
What are the key properties of N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine?
N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine has a molecular weight of 263.36 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-morpholin-4-ylsulfonylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 63264058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).