5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide

C14H20FN3O3S — CID 124688578

IUPAC5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N)C[C@H]2C)ccc1F
InChIInChI=1S/C14H20FN3O3S/c1-9-7-11(16)5-6-18(9)14(19)10-3-4-12(15)13(8-10)22(20,21)17-2/h3-4,8-9,11,17H,5-7,16H2,1-2H3/t9-,11-/m1/s1
InChIKeyLAVLLYCAPSGEGS-MWLCHTKSSA-N
MW329.40 g/mol
LogP0.69
Rot. Bonds3

About 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide

5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 124688578) has the molecular formula C14H20FN3O3S and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide
PubChem CID124688578
Molecular FormulaC14H20FN3O3S
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N)C[C@H]2C)ccc1F
InChIInChI=1S/C14H20FN3O3S/c1-9-7-11(16)5-6-18(9)14(19)10-3-4-12(15)13(8-10)22(20,21)17-2/h3-4,8-9,11,17H,5-7,16H2,1-2H3/t9-,11-/m1/s1
InChIKeyLAVLLYCAPSGEGS-MWLCHTKSSA-N
XLogP0.69
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide with MolForge

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Related Compounds

5-(4-amino-2-methylpiperidine-1-carbonyl)-2-fluoro-N-methylbenzenesulfonamide
CID 126779851
(4-amino-2-methylpiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115312129
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
CID 124690117
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methanone
CID 124692445
2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 166231310
(4-amino-2-methylpiperidin-1-yl)-(5-chloro-2-hydroxyphenyl)methanone
CID 113284360
4-[(2R,4S)-4-amino-2-methylpiperidine-1-carbonyl]benzonitrile
CID 124573728
5-(2,4-dimethylpiperazine-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 71877292
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 124576206
(4-amino-2-methylpiperidin-1-yl)-(2-fluoro-5-nitrophenyl)methanone
CID 115312191
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone
CID 124689802

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide (CID 124688578) is 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N)C[C@H]2C)ccc1F.
What is the InChIKey of 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is LAVLLYCAPSGEGS-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H20FN3O3S/c1-9-7-11(16)5-6-18(9)14(19)10-3-4-12(15)13(8-10)22(20,21)17-2/h3-4,8-9,11,17H,5-7,16H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide?
5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 329.40 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 124688578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).