(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide

C18H29N3O3S — CID 95164617

IUPAC(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H29N3O3S/c1-15-11-16(2)14-21(13-15)25(22,23)19-12-17-5-3-4-6-18(17)20-7-9-24-10-8-20/h3-6,15-16,19H,7-14H2,1-2H3/t15-,16+
InChIKeyGFWFDLLOVHYISF-IYBDPMFKSA-N
MW367.52 g/mol
LogP1.84
Rot. Bonds5

About (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide

(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide (PubChem CID 95164617) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
PubChem CID95164617
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2N2CCOCC2)C1
InChIInChI=1S/C18H29N3O3S/c1-15-11-16(2)14-21(13-15)25(22,23)19-12-17-5-3-4-6-18(17)20-7-9-24-10-8-20/h3-6,15-16,19H,7-14H2,1-2H3/t15-,16+
InChIKeyGFWFDLLOVHYISF-IYBDPMFKSA-N
XLogP1.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153568
4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 47075386
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
4-[(2-morpholin-4-ylphenyl)methylamino]cyclohexan-1-ol
CID 110928598
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 86928437
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide (CID 95164617) is (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide is C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccccc2N2CCOCC2)C1.
What is the InChIKey of (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide?
The InChIKey is GFWFDLLOVHYISF-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-15-11-16(2)14-21(13-15)25(22,23)19-12-17-5-3-4-6-18(17)20-7-9-24-10-8-20/h3-6,15-16,19H,7-14H2,1-2H3/t15-,16+.
What are the key properties of (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide?
(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 95164617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).