(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine

C14H21F2N3O3S — CID 118762309

IUPAC(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O
InChIInChI=1S/C14H21F2N3O3S/c1-18(2)23(21,22)17-13-5-6-19(9-14(13)20)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17,20H,5-6,8-9H2,1-2H3/t13-,14-/m1/s1
InChIKeyMMAILEORJUIASY-ZIAGYGMSSA-N
MW349.40 g/mol
LogP0.30
Rot. Bonds5

About (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine

(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine (PubChem CID 118762309) has the molecular formula C14H21F2N3O3S and a molecular weight of 349.40 g/mol. Its IUPAC name is (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine.

Molecular Properties

Compound Name(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
PubChem CID118762309
Molecular FormulaC14H21F2N3O3S
Molecular Weight349.40 g/mol
Exact Mass349.13
IUPAC Name(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O
InChIInChI=1S/C14H21F2N3O3S/c1-18(2)23(21,22)17-13-5-6-19(9-14(13)20)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17,20H,5-6,8-9H2,1-2H3/t13-,14-/m1/s1
InChIKeyMMAILEORJUIASY-ZIAGYGMSSA-N
XLogP0.30
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-1-[(3-chloro-4-fluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118785716
(3R,4R)-1-[(4-chlorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118785578
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 118760807
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol
CID 46960615
4-[[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 118765711
1-[(3,4-difluorophenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918627
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
1-benzyl-4-(dimethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidine
CID 170638454
(6R)-1-[(3,4-difluorophenyl)methyl]-N,N,4-trimethyl-1,4-diazepane-6-carboxamide
CID 124971585
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
N-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 75439395
2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The IUPAC name of (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine (CID 118762309) is (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine.
What is the SMILES notation for (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The canonical SMILES for (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine is CN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)c(F)c2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
The InChIKey is MMAILEORJUIASY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21F2N3O3S/c1-18(2)23(21,22)17-13-5-6-19(9-14(13)20)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17,20H,5-6,8-9H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine?
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine has a molecular weight of 349.40 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine is sourced from PubChem (CID 118762309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).