(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid

C10H17N3O4S — CID 122069755

IUPAC(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C#N)CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-8(6-11)7-12(2)18(16,17)13-5-3-4-9(13)10(14)15/h8-9H,3-5,7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyGXTUJLGUOUFCAX-GKAPJAKFSA-N
MW275.33 g/mol
LogP-0.13
Rot. Bonds5

About (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 122069755) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
PubChem CID122069755
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C#N)CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-8(6-11)7-12(2)18(16,17)13-5-3-4-9(13)10(14)15/h8-9H,3-5,7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyGXTUJLGUOUFCAX-GKAPJAKFSA-N
XLogP-0.13
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922561
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
(2R)-N-[(2R)-2-cyanopropyl]-N-methyl-2-(morpholin-4-ylmethyl)piperidine-1-sulfonamide
CID 124874935
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(2-methylsulfonylethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 79849932
(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069672
1-[2-cyanopropyl(methyl)sulfamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122106114
1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857593
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid (CID 122069755) is (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid is CC(C#N)CN(C)S(=O)(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GXTUJLGUOUFCAX-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-8(6-11)7-12(2)18(16,17)13-5-3-4-9(13)10(14)15/h8-9H,3-5,7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122069755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).