4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide

C17H21F2N5OS — CID 167488184

IUPAC4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide
SMILESCN(C)C1CCCN(c2cc(F)c(S(=O)Nc3ncccn3)c(F)c2)C1
InChIInChI=1S/C17H21F2N5OS/c1-23(2)12-5-3-8-24(11-12)13-9-14(18)16(15(19)10-13)26(25)22-17-20-6-4-7-21-17/h4,6-7,9-10,12H,3,5,8,11H2,1-2H3,(H,20,21,22)
InChIKeyNZUZGHKPKPKXHF-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.42
Rot. Bonds5

About 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide

4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide (PubChem CID 167488184) has the molecular formula C17H21F2N5OS and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide
PubChem CID167488184
Molecular FormulaC17H21F2N5OS
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide
SMILESCN(C)C1CCCN(c2cc(F)c(S(=O)Nc3ncccn3)c(F)c2)C1
InChIInChI=1S/C17H21F2N5OS/c1-23(2)12-5-3-8-24(11-12)13-9-14(18)16(15(19)10-13)26(25)22-17-20-6-4-7-21-17/h4,6-7,9-10,12H,3,5,8,11H2,1-2H3,(H,20,21,22)
InChIKeyNZUZGHKPKPKXHF-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 115490992
4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;ethylcyclohexane;molecular hydrogen
CID 167488131
4-[3-(dimethylamino)piperidin-1-yl]-2-fluoro-6-methyl-N-pyrimidin-4-ylbenzenesulfonamide;1-ethyl-3-(trifluoromethyl)benzene
CID 167488180
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one
CID 114393186
4-[3-(dimethylamino)piperidin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 80856544
4-[3-(dimethylamino)piperidin-1-yl]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide;1-ethyl-4-(trifluoromethyl)benzene
CID 167488278
1-[3-(4-bromoimidazol-1-yl)phenyl]-N,N-dimethylpiperidin-3-amine
CID 171101377
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957980
4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide
CID 81293736
1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 104843511
3-bromo-5-[3-(dimethylamino)piperidin-1-yl]benzonitrile
CID 102816721

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide?
The IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide (CID 167488184) is 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide.
What is the SMILES notation for 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide?
The canonical SMILES for 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide is CN(C)C1CCCN(c2cc(F)c(S(=O)Nc3ncccn3)c(F)c2)C1.
What is the InChIKey of 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide?
The InChIKey is NZUZGHKPKPKXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5OS/c1-23(2)12-5-3-8-24(11-12)13-9-14(18)16(15(19)10-13)26(25)22-17-20-6-4-7-21-17/h4,6-7,9-10,12H,3,5,8,11H2,1-2H3,(H,20,21,22).
What are the key properties of 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide?
4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide has a molecular weight of 381.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)piperidin-1-yl]-2,6-difluoro-N-pyrimidin-2-ylbenzenesulfinamide is sourced from PubChem (CID 167488184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).