1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine

C22H29N3O3S — CID 91906106

IUPAC1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESO=S(=O)(c1ccccc1)N1CCC(N(Cc2cccnc2)C2CCOCC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-29(27,22-6-2-1-3-7-22)24-13-8-20(9-14-24)25(21-10-15-28-16-11-21)18-19-5-4-12-23-17-19/h1-7,12,17,20-21H,8-11,13-16,18H2
InChIKeyWOMYKDGOLSYGHP-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.92
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine

1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 91906106) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID91906106
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESO=S(=O)(c1ccccc1)N1CCC(N(Cc2cccnc2)C2CCOCC2)CC1
InChIInChI=1S/C22H29N3O3S/c26-29(27,22-6-2-1-3-7-22)24-13-8-20(9-14-24)25(21-10-15-28-16-11-21)18-19-5-4-12-23-17-19/h1-7,12,17,20-21H,8-11,13-16,18H2
InChIKeyWOMYKDGOLSYGHP-UHFFFAOYSA-N
XLogP2.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine 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

1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
3-[1-(Benzenesulfonyl)piperidin-2-yl]pyridine
CID 3155736
3-(Benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 3233890
9-(Benzenesulfonyl)-2-pyridin-4-yl-2,9-diazaspiro[5.5]undecane
CID 3234057
3-(Benzenesulfonyl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 3234646
9-(Benzenesulfonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 3235156
N-[2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]benzenesulfonamide
CID 5310184
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylpyridine-3-sulfonamide
CID 13318112
4-methyl-N-(2-morpholino-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 16189359
1-(4-Methylbenzenesulfonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine
CID 2427468
3-[1-(4-Fluorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894220

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine (CID 91906106) is 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine is O=S(=O)(c1ccccc1)N1CCC(N(Cc2cccnc2)C2CCOCC2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is WOMYKDGOLSYGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c26-29(27,22-6-2-1-3-7-22)24-13-8-20(9-14-24)25(21-10-15-28-16-11-21)18-19-5-4-12-23-17-19/h1-7,12,17,20-21H,8-11,13-16,18H2.
What are the key properties of 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine?
1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 415.56 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(oxan-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 91906106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).