(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide

C17H24N4O2S — CID 35431927

IUPAC(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C17H24N4O2S/c1-15-7-6-10-20(12-15)24(22,23)19(2)13-16-11-18-21(14-16)17-8-4-3-5-9-17/h3-5,8-9,11,14-15H,6-7,10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyWOTRDZVRTMAYOY-HNNXBMFYSA-N
MW348.47 g/mol
LogP2.28
Rot. Bonds5

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

(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 35431927) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID35431927
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C17H24N4O2S/c1-15-7-6-10-20(12-15)24(22,23)19(2)13-16-11-18-21(14-16)17-8-4-3-5-9-17/h3-5,8-9,11,14-15H,6-7,10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyWOTRDZVRTMAYOY-HNNXBMFYSA-N
XLogP2.28
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 35385286
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 31080299
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 94115482
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 47044975
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
N-(2-aminoethyl)-N-benzyl-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120584167
(1-phenylpyrazol-4-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 27294254
(3R)-N-benzyl-3-(1-ethylimidazol-2-yl)-N-methylpiperidine-1-sulfonamide
CID 97151933

Frequently Asked Questions

What is the IUPAC name of (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide (CID 35431927) is (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide is C[C@H]1CCCN(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is WOTRDZVRTMAYOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-15-7-6-10-20(12-15)24(22,23)19(2)13-16-11-18-21(14-16)17-8-4-3-5-9-17/h3-5,8-9,11,14-15H,6-7,10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
(3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 35431927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).