(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide

C19H32N4O3S — CID 51725042

IUPAC(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H32N4O3S/c1-17-15-23(16-18(2)26-17)27(24,25)20-9-6-10-21-11-13-22(14-12-21)19-7-4-3-5-8-19/h3-5,7-8,17-18,20H,6,9-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyOIFAMEHDCYHMSW-ROUUACIJSA-N
MW396.56 g/mol
LogP1.14
Rot. Bonds7

About (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide

(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide (PubChem CID 51725042) has the molecular formula C19H32N4O3S and a molecular weight of 396.56 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
PubChem CID51725042
Molecular FormulaC19H32N4O3S
Molecular Weight396.56 g/mol
Exact Mass396.22
IUPAC Name(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)C[C@H](C)O1
InChIInChI=1S/C19H32N4O3S/c1-17-15-23(16-18(2)26-17)27(24,25)20-9-6-10-21-11-13-22(14-12-21)19-7-4-3-5-8-19/h3-5,7-8,17-18,20H,6,9-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyOIFAMEHDCYHMSW-ROUUACIJSA-N
XLogP1.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US11091488, Example 25
CID 141707661
N-[2-(morpholin-4-yl)ethyl]aniline
CID 2737013
4-{[4-(4-Fluorophenyl)piperazin-1-yl]sulfonyl}morpholine
CID 1094981
4-[4-(2-Fluorophenyl)piperazin-1-yl]sulfonylmorpholine
CID 973790
4-Phenyl-piperazine-1-carbothioic acid (3-morpholin-4-yl-propyl)-amide
CID 3192056
4-Phenyl-N-(morpholin-4-ylethyl)-1-piperazinecarboxamide
CID 14763452
4-[4-(Piperazin-1-yl)phenyl]morpholine
CID 10377313
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 42957814
Methoxyphenylpiperazine
CID 20200458
((2S)-4-phenylmorpholin-2-yl)methanamine dihydrochloride
CID 137935507
[(2S)-4-phenylmorpholin-2-yl]methanamine hydrochloride
CID 165719786

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide?
The IUPAC name of (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide (CID 51725042) is (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide?
The canonical SMILES for (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide is C[C@H]1CN(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide?
The InChIKey is OIFAMEHDCYHMSW-ROUUACIJSA-N. The full InChI is InChI=1S/C19H32N4O3S/c1-17-15-23(16-18(2)26-17)27(24,25)20-9-6-10-21-11-13-22(14-12-21)19-7-4-3-5-8-19/h3-5,7-8,17-18,20H,6,9-16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide?
(2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide has a molecular weight of 396.56 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-4-sulfonamide is sourced from PubChem (CID 51725042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).