1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide

C12H19FN4O2S — CID 90205681

IUPAC1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(c2c(N)cncc2F)CC1
InChIInChI=1S/C12H19FN4O2S/c1-16(2)20(18,19)9-3-5-17(6-4-9)12-10(13)7-15-8-11(12)14/h7-9H,3-6,14H2,1-2H3
InChIKeySUHLXQFUQRSEKO-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.66
Rot. Bonds3

About 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide

1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide (PubChem CID 90205681) has the molecular formula C12H19FN4O2S and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide
PubChem CID90205681
Molecular FormulaC12H19FN4O2S
Molecular Weight302.38 g/mol
Exact Mass302.12
IUPAC Name1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(c2c(N)cncc2F)CC1
InChIInChI=1S/C12H19FN4O2S/c1-16(2)20(18,19)9-3-5-17(6-4-9)12-10(13)7-15-8-11(12)14/h7-9H,3-6,14H2,1-2H3
InChIKeySUHLXQFUQRSEKO-UHFFFAOYSA-N
XLogP0.66
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[4-[4-(dimethylsulfamoyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199393
5-fluoro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridin-3-amine
CID 138645804
4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluoropyridin-3-amine
CID 90205281
5-fluoro-4-(4-morpholin-4-ylpiperidin-1-yl)pyridin-3-amine
CID 90211980
5-fluoro-4-thiomorpholin-4-ylpyridin-3-amine
CID 144642146
1-(3-amino-5-fluoro-4-pyridinyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide;1-[1-(3-amino-5-methyl-4-pyridinyl)piperidin-4-yl]pyrrolidin-2-one;5-fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyridin-3-amine;5-fluoro-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridin-3-amine
CID 158861914
5-chloro-4-[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]pyridin-3-amine
CID 157414916
5-bromo-4-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridin-3-amine
CID 103517907
1-(3-amino-5-fluoro-4-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid
CID 134304064
5-bromo-4-(4-methoxypiperidin-1-yl)pyridin-3-amine
CID 103517696
5-bromo-4-(4-methylazepan-1-yl)pyridin-3-amine
CID 103518144
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 154582483

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide?
The IUPAC name of 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide (CID 90205681) is 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide?
The canonical SMILES for 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide is CN(C)S(=O)(=O)C1CCN(c2c(N)cncc2F)CC1.
What is the InChIKey of 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide?
The InChIKey is SUHLXQFUQRSEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O2S/c1-16(2)20(18,19)9-3-5-17(6-4-9)12-10(13)7-15-8-11(12)14/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide?
1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide has a molecular weight of 302.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluoro-4-pyridinyl)-N,N-dimethylpiperidine-4-sulfonamide is sourced from PubChem (CID 90205681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).