2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride

C9H21ClN2O4S2 — CID 120723401

IUPAC2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
SMILESCS(=O)(=O)CCS(=O)(=O)NCC[C@H]1CCCN1.Cl
InChIInChI=1S/C9H20N2O4S2.ClH/c1-16(12,13)7-8-17(14,15)11-6-4-9-3-2-5-10-9;/h9-11H,2-8H2,1H3;1H/t9-;/m1./s1
InChIKeyIJMBGYZPGGTVOA-SBSPUUFOSA-N
MW320.86 g/mol
LogP-0.49
Rot. Bonds7

About 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride

2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride (PubChem CID 120723401) has the molecular formula C9H21ClN2O4S2 and a molecular weight of 320.86 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
PubChem CID120723401
Molecular FormulaC9H21ClN2O4S2
Molecular Weight320.86 g/mol
Exact Mass320.06
IUPAC Name2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
SMILESCS(=O)(=O)CCS(=O)(=O)NCC[C@H]1CCCN1.Cl
InChIInChI=1S/C9H20N2O4S2.ClH/c1-16(12,13)7-8-17(14,15)11-6-4-9-3-2-5-10-9;/h9-11H,2-8H2,1H3;1H/t9-;/m1./s1
InChIKeyIJMBGYZPGGTVOA-SBSPUUFOSA-N
XLogP-0.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
CID 104972385
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222
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-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
2-ethoxy-N-(2-piperidin-2-ylethyl)ethanesulfonamide
CID 63245561
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972512
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride?
The IUPAC name of 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride (CID 120723401) is 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride is CS(=O)(=O)CCS(=O)(=O)NCC[C@H]1CCCN1.Cl.
What is the InChIKey of 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride?
The InChIKey is IJMBGYZPGGTVOA-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H20N2O4S2.ClH/c1-16(12,13)7-8-17(14,15)11-6-4-9-3-2-5-10-9;/h9-11H,2-8H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride?
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of -0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 120723401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).