(3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine

C21H27N3O2S — CID 42396448

IUPAC(3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCN(CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C21H27N3O2S/c1-23(16-12-20-10-5-6-14-22-20)21-11-7-15-24(18-21)27(25,26)17-13-19-8-3-2-4-9-19/h2-6,8-10,13-14,17,21H,7,11-12,15-16,18H2,1H3/b17-13+/t21-/m0/s1
InChIKeyPSIBAODWWQAALV-ZDJZVTAXSA-N
MW385.53 g/mol
LogP3.02
Rot. Bonds7

About (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine

(3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine (PubChem CID 42396448) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
PubChem CID42396448
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name(3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
SMILESCN(CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C21H27N3O2S/c1-23(16-12-20-10-5-6-14-22-20)21-11-7-15-24(18-21)27(25,26)17-13-19-8-3-2-4-9-19/h2-6,8-10,13-14,17,21H,7,11-12,15-16,18H2,1H3/b17-13+/t21-/m0/s1
InChIKeyPSIBAODWWQAALV-ZDJZVTAXSA-N
XLogP3.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine with MolForge

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 45208601
2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
CID 45179784
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599
1-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]azepane
CID 86900562
[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 56912433
N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 97427429
(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
CID 56701731
methyl 4-[[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 45234205
4-ethyl-2-methyl-5-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-1,2,4-triazol-3-one
CID 56714279
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178824
(E)-N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-2-phenylethenesulfonamide
CID 98526139

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine (CID 42396448) is (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine is CN(CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1.
What is the InChIKey of (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
The InChIKey is PSIBAODWWQAALV-ZDJZVTAXSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-23(16-12-20-10-5-6-14-22-20)21-11-7-15-24(18-21)27(25,26)17-13-19-8-3-2-4-9-19/h2-6,8-10,13-14,17,21H,7,11-12,15-16,18H2,1H3/b17-13+/t21-/m0/s1.
What are the key properties of (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine?
(3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine has a molecular weight of 385.53 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine is sourced from PubChem (CID 42396448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).