3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide

C10H22N2O3S — CID 104972385

IUPAC3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C10H22N2O3S/c1-15-8-3-9-16(13,14)12-7-5-10-4-2-6-11-10/h10-12H,2-9H2,1H3/t10-/m1/s1
InChIKeyJMTWOFIMFPYCGJ-SNVBAGLBSA-N
MW250.36 g/mol
LogP0.08
Rot. Bonds8

About 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide

3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide (PubChem CID 104972385) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
PubChem CID104972385
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C10H22N2O3S/c1-15-8-3-9-16(13,14)12-7-5-10-4-2-6-11-10/h10-12H,2-9H2,1H3/t10-/m1/s1
InChIKeyJMTWOFIMFPYCGJ-SNVBAGLBSA-N
XLogP0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
2-ethoxy-N-(2-piperidin-2-ylethyl)ethanesulfonamide
CID 63245561
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propan-2-amine
CID 104978184
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide (CID 104972385) is 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide is COCCCS(=O)(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide?
The InChIKey is JMTWOFIMFPYCGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-15-8-3-9-16(13,14)12-7-5-10-4-2-6-11-10/h10-12H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide?
3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 104972385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).