(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide

C18H30N4O2S — CID 51939583

IUPAC(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H30N4O2S/c1-17-6-5-10-22(16-17)25(23,24)19-9-11-20-12-14-21(15-13-20)18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3/t17-/m1/s1
InChIKeyHJEIPEYTPIBFLN-QGZVFWFLSA-N
MW366.53 g/mol
LogP1.37
Rot. Bonds6

About (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide

(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 51939583) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
PubChem CID51939583
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H30N4O2S/c1-17-6-5-10-22(16-17)25(23,24)19-9-11-20-12-14-21(15-13-20)18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3/t17-/m1/s1
InChIKeyHJEIPEYTPIBFLN-QGZVFWFLSA-N
XLogP1.37
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-sulfonamide
CID 46595882
(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
CID 51725042
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
2-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 94809275
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 86928437
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382
3-(aminomethyl)-N-(2-phenylethyl)piperidine-1-sulfonamide
CID 106060180

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide (CID 51939583) is (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is HJEIPEYTPIBFLN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-17-6-5-10-22(16-17)25(23,24)19-9-11-20-12-14-21(15-13-20)18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide?
(3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 366.53 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 51939583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).