(2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide

C14H29N3O4S — CID 164629454

IUPAC(2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide
SMILESCOC[C@H]1CCCN1S(=O)(=O)NC(C)(C)CN1CCOCC1
InChIInChI=1S/C14H29N3O4S/c1-14(2,12-16-7-9-21-10-8-16)15-22(18,19)17-6-4-5-13(17)11-20-3/h13,15H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyYKNUJLNEAPGLKC-CYBMUJFWSA-N
MW335.47 g/mol
LogP0.04
Rot. Bonds7

About (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide

(2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 164629454) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide
PubChem CID164629454
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC Name(2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide
SMILESCOC[C@H]1CCCN1S(=O)(=O)NC(C)(C)CN1CCOCC1
InChIInChI=1S/C14H29N3O4S/c1-14(2,12-16-7-9-21-10-8-16)15-22(18,19)17-6-4-5-13(17)11-20-3/h13,15H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyYKNUJLNEAPGLKC-CYBMUJFWSA-N
XLogP0.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide (CID 164629454) is (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide is COC[C@H]1CCCN1S(=O)(=O)NC(C)(C)CN1CCOCC1.
What is the InChIKey of (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is YKNUJLNEAPGLKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-14(2,12-16-7-9-21-10-8-16)15-22(18,19)17-6-4-5-13(17)11-20-3/h13,15H,4-12H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide?
(2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 164629454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).