N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide

C12H20N4O2S — CID 110114762

IUPACN,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC1c1ccncn1
InChIInChI=1S/C12H20N4O2S/c1-3-15(4-2)19(17,18)16-9-5-6-12(16)11-7-8-13-10-14-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyRGNBFOFQOUKTHV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.20
Rot. Bonds5

About N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide

N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide (PubChem CID 110114762) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide
PubChem CID110114762
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCCC1c1ccncn1
InChIInChI=1S/C12H20N4O2S/c1-3-15(4-2)19(17,18)16-9-5-6-12(16)11-7-8-13-10-14-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyRGNBFOFQOUKTHV-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyrimidin-4-ylpyrrolidin-1-yl)sulfonylmorpholine
CID 110096218
4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 124967389
N-[[6-[(2R)-1-(diethylsulfamoyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125003728
4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 110114763
4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
CID 124970255
(2R)-N,N-diethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-sulfonamide
CID 94061295
(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95832645
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide
CID 125019512
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95274519

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide (CID 110114762) is N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCCC1c1ccncn1.
What is the InChIKey of N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide?
The InChIKey is RGNBFOFQOUKTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-15(4-2)19(17,18)16-9-5-6-12(16)11-7-8-13-10-14-11/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide?
N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-pyrimidin-4-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 110114762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).