(3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

C17H25N5O2S — CID 125013369

IUPAC(3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCc1nccn1-c1ccnc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1
InChIInChI=1S/C17H25N5O2S/c1-4-17-19-9-11-22(17)15-7-8-18-16(12-15)14-6-5-10-21(13-14)25(23,24)20(2)3/h7-9,11-12,14H,4-6,10,13H2,1-3H3/t14-/m0/s1
InChIKeyWERPJODPARFUTC-AWEZNQCLSA-N
MW363.49 g/mol
LogP1.82
Rot. Bonds5

About (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

(3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 125013369) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID125013369
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name(3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCc1nccn1-c1ccnc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1
InChIInChI=1S/C17H25N5O2S/c1-4-17-19-9-11-22(17)15-7-8-18-16(12-15)14-6-5-10-21(13-14)25(23,24)20(2)3/h7-9,11-12,14H,4-6,10,13H2,1-3H3/t14-/m0/s1
InChIKeyWERPJODPARFUTC-AWEZNQCLSA-N
XLogP1.82
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-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

3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110098897
N,N-dimethyl-3-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 110258904
4-(2,4-dimethylimidazol-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110096618
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
CID 95839090
(3R)-3-(3-chloropyrazin-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 95829502
(3S)-N,N-dimethyl-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]piperidine-1-sulfonamide
CID 124987790
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142
N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 125013369) is (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is CCc1nccn1-c1ccnc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1.
What is the InChIKey of (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is WERPJODPARFUTC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-4-17-19-9-11-22(17)15-7-8-18-16(12-15)14-6-5-10-21(13-14)25(23,24)20(2)3/h7-9,11-12,14H,4-6,10,13H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
(3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 363.49 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(2-ethylimidazol-1-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 125013369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).