(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine

C15H23N3O4S2 — CID 118790702

IUPAC(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)CSc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H23N3O4S2/c1-17(2)24(21,22)16-13-8-9-18(10-14(13)19)15(20)11-23-12-6-4-3-5-7-12/h3-7,13-14,16,19H,8-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyIJXNXDJWBMTBHK-ZIAGYGMSSA-N
MW373.50 g/mol
LogP0.14
Rot. Bonds6

About (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine

(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine (PubChem CID 118790702) has the molecular formula C15H23N3O4S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine.

Molecular Properties

Compound Name(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine
PubChem CID118790702
Molecular FormulaC15H23N3O4S2
Molecular Weight373.50 g/mol
Exact Mass373.11
IUPAC Name(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)CSc2ccccc2)C[C@H]1O
InChIInChI=1S/C15H23N3O4S2/c1-17(2)24(21,22)16-13-8-9-18(10-14(13)19)15(20)11-23-12-6-4-3-5-7-12/h3-7,13-14,16,19H,8-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyIJXNXDJWBMTBHK-ZIAGYGMSSA-N
XLogP0.14
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine 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

2-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidine-1-carbonyl]-3-hydroxypyridine
CID 118769440
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
(3R,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(dimethylsulfamoylamino)-3-hydroxypiperidine
CID 118779147
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-hydroxy-3-methoxybenzoyl)piperidine
CID 118769350
1-(2-phenylsulfanylacetyl)piperidine-3-sulfonamide
CID 79001409
N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70765532
1-(4-acetylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 39073681
3-[(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxypiperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 118788409
1-[(3S)-3-hydroxypyrrolidin-1-yl]-4-phenylsulfanylbutan-1-one
CID 79029544
1-[(3R)-3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-2-phenylsulfanylethanone
CID 129476846
1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
CID 47070919
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 118760807

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine?
The IUPAC name of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine (CID 118790702) is (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine.
What is the SMILES notation for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine?
The canonical SMILES for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine is CN(C)S(=O)(=O)N[C@@H]1CCN(C(=O)CSc2ccccc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine?
The InChIKey is IJXNXDJWBMTBHK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23N3O4S2/c1-17(2)24(21,22)16-13-8-9-18(10-14(13)19)15(20)11-23-12-6-4-3-5-7-12/h3-7,13-14,16,19H,8-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine?
(3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine has a molecular weight of 373.50 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(dimethylsulfamoylamino)-3-hydroxy-1-(2-phenylsulfanylacetyl)piperidine is sourced from PubChem (CID 118790702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).