1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide

C8H15N3O2S — CID 104972512

IUPAC1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C8H15N3O2S/c9-4-7-14(12,13)11-6-3-8-2-1-5-10-8/h8,10-11H,1-3,5-7H2/t8-/m1/s1
InChIKeyPIWICZXABJAYEF-MRVPVSSYSA-N
MW217.29 g/mol
LogP-0.43
Rot. Bonds5

About 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide

1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide (PubChem CID 104972512) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
PubChem CID104972512
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESN#CCS(=O)(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C8H15N3O2S/c9-4-7-14(12,13)11-6-3-8-2-1-5-10-8/h8,10-11H,1-3,5-7H2/t8-/m1/s1
InChIKeyPIWICZXABJAYEF-MRVPVSSYSA-N
XLogP-0.43
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972605
1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
2-(2-pyrrolidin-2-ylethylsulfamoyl)acetic acid
CID 114794124
(2S)-2-[2-(sulfamoylamino)ethyl]pyrrolidine
CID 104985745
2-methylsulfonyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120723401
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
3-[2-[(2S)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972731
3-[2-[(2R)-pyrrolidin-2-yl]ethylsulfamoyl]propanoic acid
CID 104972503
N-propyl-2-pyrrolidin-2-ylethanesulfonamide
CID 115071362
3-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propane-1-sulfonamide
CID 104972385
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide (CID 104972512) is 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide is N#CCS(=O)(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is PIWICZXABJAYEF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c9-4-7-14(12,13)11-6-3-8-2-1-5-10-8/h8,10-11H,1-3,5-7H2/t8-/m1/s1.
What are the key properties of 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 104972512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).