4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide

C19H30N2O3S — CID 2623059

IUPAC4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C19H30N2O3S/c1-5-17(6-2)20-19(22)16-7-9-18(10-8-16)25(23,24)21-12-14(3)11-15(4)13-21/h7-10,14-15,17H,5-6,11-13H2,1-4H3,(H,20,22)/t14-,15+
InChIKeyUPTFUJRWBJLLEF-GASCZTMLSA-N
MW366.53 g/mol
LogP3.27
Rot. Bonds6

About 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide

4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide (PubChem CID 2623059) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
PubChem CID2623059
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1
InChIInChI=1S/C19H30N2O3S/c1-5-17(6-2)20-19(22)16-7-9-18(10-8-16)25(23,24)21-12-14(3)11-15(4)13-21/h7-10,14-15,17H,5-6,11-13H2,1-4H3,(H,20,22)/t14-,15+
InChIKeyUPTFUJRWBJLLEF-GASCZTMLSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide 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

N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 120508573
N-[(1S)-1-cyclopropylethyl]-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9478716
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 45354544
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
N-[(2S)-butan-2-yl]-2-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]benzamide
CID 51707771
N-[3-(aminomethyl)pentan-3-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119571745
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide?
The IUPAC name of 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide (CID 2623059) is 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1.
What is the InChIKey of 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide?
The InChIKey is UPTFUJRWBJLLEF-GASCZTMLSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-5-17(6-2)20-19(22)16-7-9-18(10-8-16)25(23,24)21-12-14(3)11-15(4)13-21/h7-10,14-15,17H,5-6,11-13H2,1-4H3,(H,20,22)/t14-,15+.
What are the key properties of 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide?
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide has a molecular weight of 366.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 2623059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).