(3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide

C16H26N2O3S — CID 97477037

IUPAC(3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide
SMILESCO[C@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1Cc1cccc(C)c1
InChIInChI=1S/C16H26N2O3S/c1-13-6-5-7-14(10-13)11-15-12-18(9-8-16(15)21-4)22(19,20)17(2)3/h5-7,10,15-16H,8-9,11-12H2,1-4H3/t15-,16-/m0/s1
InChIKeySBWDRRSHFPKTOD-HOTGVXAUSA-N
MW326.46 g/mol
LogP1.68
Rot. Bonds5

About (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide

(3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide (PubChem CID 97477037) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide
PubChem CID97477037
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide
SMILESCO[C@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1Cc1cccc(C)c1
InChIInChI=1S/C16H26N2O3S/c1-13-6-5-7-14(10-13)11-15-12-18(9-8-16(15)21-4)22(19,20)17(2)3/h5-7,10,15-16H,8-9,11-12H2,1-4H3/t15-,16-/m0/s1
InChIKeySBWDRRSHFPKTOD-HOTGVXAUSA-N
XLogP1.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide 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)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 125219843
(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 97422444
[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 125230007
[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124795000
5-fluoro-2-[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]pyrimidine
CID 124792919
[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 97422435
[(3R,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124794762
[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97422768
2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 97422425
2-[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]pyrimidine;2,2,2-trifluoroacetic acid
CID 155854798
[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 97422757
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide (CID 97477037) is (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide is CO[C@H]1CCN(S(=O)(=O)N(C)C)C[C@@H]1Cc1cccc(C)c1.
What is the InChIKey of (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide?
The InChIKey is SBWDRRSHFPKTOD-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13-6-5-7-14(10-13)11-15-12-18(9-8-16(15)21-4)22(19,20)17(2)3/h5-7,10,15-16H,8-9,11-12H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide?
(3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 97477037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).