N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

C15H21FN6O4S — CID 91814119

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C15H21FN6O4S/c1-27(25,26)22-7-6-21(15(22)24)14(23)19-8-11-2-4-20(5-3-11)13-17-9-12(16)10-18-13/h9-11H,2-8H2,1H3,(H,19,23)
InChIKeyJCPPLXZSNYOJMG-UHFFFAOYSA-N
MW400.44 g/mol
LogP0.24
Rot. Bonds4

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (PubChem CID 91814119) has the molecular formula C15H21FN6O4S and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
PubChem CID91814119
Molecular FormulaC15H21FN6O4S
Molecular Weight400.44 g/mol
Exact Mass400.13
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)C1=O
InChIInChI=1S/C15H21FN6O4S/c1-27(25,26)22-7-6-21(15(22)24)14(23)19-8-11-2-4-20(5-3-11)13-17-9-12(16)10-18-13/h9-11H,2-8H2,1H3,(H,19,23)
InChIKeyJCPPLXZSNYOJMG-UHFFFAOYSA-N
XLogP0.24
TPSA115.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-yl]-1,1-dimethylurea
CID 72908687
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 91814102
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
N-[1-(5-fluoropyrimidin-2-yl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 168452958
(4S)-4-[(2S)-butan-2-yl]-1-(5-fluoropyrimidin-2-yl)imidazolidin-2-one
CID 140625305
N-[(3S*,4R*)-1-(5-fluoro-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]methanesulfonamide
CID 72898120
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)-2-oxoimidazolidine-1-carboxamide
CID 91814112
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)methanesulfonamide
CID 91814122
(5R)-9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482194
(5S)-9-(5-fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482196
9-(5-Fluoropyrimidin-2-yl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 131638920
5-fluoro-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 136517522

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide (CID 91814119) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is CS(=O)(=O)N1CCN(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)C1=O.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
The InChIKey is JCPPLXZSNYOJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O4S/c1-27(25,26)22-7-6-21(15(22)24)14(23)19-8-11-2-4-20(5-3-11)13-17-9-12(16)10-18-13/h9-11H,2-8H2,1H3,(H,19,23).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 91814119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).