(3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide

C16H24N2O3S — CID 97217858

IUPAC(3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide
SMILESCc1ccc(CN(C2CC2)S(=O)(=O)N2CCOC[C@@H]2C)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-3-5-15(6-4-13)11-18(16-7-8-16)22(19,20)17-9-10-21-12-14(17)2/h3-6,14,16H,7-12H2,1-2H3/t14-/m0/s1
InChIKeySVAZGIZYDGUKOQ-AWEZNQCLSA-N
MW324.45 g/mol
LogP1.92
Rot. Bonds5

About (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide

(3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide (PubChem CID 97217858) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide
PubChem CID97217858
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide
SMILESCc1ccc(CN(C2CC2)S(=O)(=O)N2CCOC[C@@H]2C)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-3-5-15(6-4-13)11-18(16-7-8-16)22(19,20)17-9-10-21-12-14(17)2/h3-6,14,16H,7-12H2,1-2H3/t14-/m0/s1
InChIKeySVAZGIZYDGUKOQ-AWEZNQCLSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
{[(2-Fluorophenyl)methyl][2-(morpholin-4-YL)ethyl]sulfamoyl}dimethylamine
CID 665482
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932
2-Morpholino-2-(p-tolyl)acetonitrile
CID 3244987
4-(1-Phenylbutyl)morpholine--hydrogen chloride (1/1)
CID 3057372
4-(1-Phenylethyl)morpholine--hydrogen chloride (1/1)
CID 3057369
[4-(Morpholin-4-ylmethyl)phenyl]methanamine
CID 2795501
4-Benzyl-4-methylmorpholin-4-ium
CID 16205156
N,N-dimethyl-3-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 54767410
Morpholine, 4-(1-phenylethyl)-
CID 600557
Morpholinium, p-xylylenebis(N-methyl-, dibromide
CID 116259
4-(1-Phenylpropyl)morpholine--hydrogen chloride (1/1)
CID 3057367

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide?
The IUPAC name of (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide (CID 97217858) is (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide is Cc1ccc(CN(C2CC2)S(=O)(=O)N2CCOC[C@@H]2C)cc1.
What is the InChIKey of (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide?
The InChIKey is SVAZGIZYDGUKOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-3-5-15(6-4-13)11-18(16-7-8-16)22(19,20)17-9-10-21-12-14(17)2/h3-6,14,16H,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide?
(3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-3-methyl-N-[(4-methylphenyl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 97217858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).