1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid

C8H16N2O4S — CID 63720496

IUPAC1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)N(C)C)CC1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6-4-10(5-7(6)8(11)12)15(13,14)9(2)3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyVPMFQPCTQMBKQD-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.55
Rot. Bonds3

About 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720496) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720496
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)N(C)C)CC1C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-6-4-10(5-7(6)8(11)12)15(13,14)9(2)3/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyVPMFQPCTQMBKQD-UHFFFAOYSA-N
XLogP-0.55
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 21076148
1-(Fluorosulfonyl)pyrrolidine-3-carboxylic acid
CID 165690980
1-(Diethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709072
1-[Butyl(methyl)sulfamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709431
4-Methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 113636803
(3S,4S)-4-methyl-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 114085518
(3S,4S)-1-(diethylsulfamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817121
(3S,4S)-1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817132
(3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817164
(3S,4S)-1-[butyl(methyl)sulfamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817170
(3S,4S)-1-[cyclopropylmethyl(methyl)sulfamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817240
(3S,4S)-1-[(3-methoxy-3-oxopropyl)-methylsulfamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121817275

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63720496) is 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(S(=O)(=O)N(C)C)CC1C(=O)O.
What is the InChIKey of 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is VPMFQPCTQMBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-6-4-10(5-7(6)8(11)12)15(13,14)9(2)3/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).